ಟೆಂಪ್ಲೇಟು:Chembox

Linalool
Identifiers
	Compounds; (+/-)-linalool; (R): (-)-linalool; (S): (+)-linalool;
CAS Number	78-70-6; (R): 126-91-0; (S): 126-90-9;
PubChem CID	6549; (R): 443158; (S): 67179;

Chembox
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). >
	Infobox references

Template documentation

Template {{Chembox}} is an infobox for chemicals. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".

Usage

The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).

The sections and their parameters are listed below.

Within the general chembox template (with its own parameters like |ImageFile= and |IUPACName=), each section is added with this pattern (as the value of a parameter |Sectionx=.

{{Chembox| ImageFile = | IUPACName = <!-- more general Chembox parameters here -->| Section1 = {{Chembox Identifiers| CASNo = | PubChem = <!-- more Identifier parameters here -->  }}}}

In this format, spaces and new lines have no meaning and can be used freely to separate sections (though within a data value, a space has a meaning, except generally leading and trailing spaces).Each section has its own number in |Section#=. Then a section is defined with "|Section# = {{Chembox " and ends with "}}". Sections cannot 'nest': one must close one section with }} before adding another |Section#= {{Chembox ....

Keep in mind the advice in the main Infobox documentation to use the {{Unbulleted list}} template to present multiple values for a parameter so as to ensure that the values are each started on a new line and tagged appropriately in the underlying markup. This is particularly important with parameters like |OtherNames=, since many names use commas within them, and using commas as separators leads to ambiguity. For example:

| OtherNames = {{Unbulleted list  | 2,4,6(1''H'',3''H'',5''H'')-pyrimidinetrione  | 2,4,6-trioxohexahydropyrimidine  | pyrimidinetriol  | malonylurea  | 6-hydroxyuracil  | ''N'',''N''-(1,3-dioxo-1,3-propanediyl)urea  }}| (next parameter) = <!-- etc. -->

Small, simple form

To use, simply copy and paste the left column into the document, filling in whatever you can, and save:

{{Chembox<!-- Images -->| ImageFile = | ImageSize = | ImageAlt =<!-- Names -->| IUPACName = | OtherNames =<!-- Sections -->| Section1 = {{Chembox Identifiers| CASNo = | PubChem = | SMILES =   }}| Section2 = {{Chembox Properties| Formula = | MolarMass = | Appearance = | Density = | MeltingPt = | BoilingPt = | Solubility =   }}| Section3 = {{Chembox Hazards| MainHazards =| FlashPt =| AutoignitionPt =  }}}}

Medium form

To use, simply copy and paste the left column into the document, filling in whatever you can:

{{Chembox| Reference =<!-- Names -->| Name =| IUPACName =| PIN =| SystematicName =| OtherNames = {{Unbulleted list  | ''name1''  | ''name2''  ...  | ''name50''  }}<!-- Images -->| ImageFile = | ImageSize = | ImageAlt = | ImageName = | ImageFile1 = | ImageSize1 = | ImageAlt1 = | ImageName1 = | ImageFile2 = | ImageSize2 = | ImageAlt2 = | ImageName2 = | ImageFile3 = | ImageSize3 = | ImageAlt3 = | ImageName3 = | ImageFileL1 = | ImageSizeL1 = | ImageAltL1 = | ImageNameL1 = | ImageFileR1 = | ImageSizeR1 = | ImageAltR1 = | ImageNameR1 = | ImageFileL2 = | ImageSizeL2 = | ImageAltL2 = | ImageNameL2 = | ImageFileR2 = | ImageSizeR2 = | ImageAltR2 = | ImageNameR2 = <!-- Sections -->| Section1 = {{Chembox Identifiers| 3DMet = | Abbreviations = | Beilstein = | CASNo = | CASNo_Comment = | CASOther = | ChEBI = | ChemSpiderID = | EINECS = | EC_number = | EC_number_Comment = | Gmelin = | InChI = | KEGG = | MeSHName = | PubChem = | RTECS = | SMILES = | UNNumber =   }}| Section2 = {{Chembox Properties| AtmosphericOHRateConstant = | Appearance = | BoilingPt = | BoilingPtC = | BoilingPt_ref = | BoilingPt_notes = | Density = | Formula = | HenryConstant = | LogP = | MolarMass = | MeltingPt = | MeltingPtC = | MeltingPt_ref = | MeltingPt_notes = | pKa = | pKb = | Solubility = | SolubleOther = | Solvent = | VaporPressure =   }}| Section3 = {{Chembox Structure| Coordination = | CrystalStruct = | MolShape =   }}| Section4 = {{Chembox Thermochemistry| DeltaGf = | DeltaHc = | DeltaHf = | Entropy = | HeatCapacity =   }}| Section5 = {{Chembox Explosive| ShockSens = | FrictionSens = | DetonationV = | REFactor =   }}| Section6 = {{Chembox Pharmacology| ATCvet = | ATCCode_prefix = | ATCCode_suffix = | ATC_Supplemental = | AdminRoutes = | Bioavail = | Excretion = | HalfLife = | Metabolism = | legal_status = | legal_AU = | legal_AU_comment = | legal_CA = | legal_CA_comment = | legal_NZ = | legal_NZ_comment = | legal_US = | legal_US_comment = | legal_UK = | legal_UK_comment = | legal_EU = | legal_EU_comment = | legal_UN = | legal_UN_comment = | pregnancy_category = | pregnancy_AU = | pregnancy_AU_comment = | pregnancy_US = | pregnancy_US_comment = | ProteinBound = | Dependence_liability = | Addiction_liability =   }}| Section7 = {{Chembox Hazards| AutoignitionPt = | ExploLimits = | FlashPt = | LD50 = | LC50 = | MainHazards = | NFPA-F = | NFPA-H = | NFPA-R = | NFPA-S = | PEL = | REL = | ExternalSDS = | GHSPictograms = | GHSSignalWord = | HPhrases = | PPhrases =   }}| Section9 = {{Chembox Related| OtherAnions = | OtherCations = | OtherFunction = | OtherFunction_label = | OtherCompounds =   }}}}


 
Title (default: article name)
Reference, use <ref> </ref> and add <references/> to the page
IUPAC name
The systematic name(s)
Any other name(s)

Like filename.svg (not [[image:filename.svg]])
Picture width (default=200px; example: ImageSize=100px)
Alt text for picture (example: Fine dry white powder)
Picture caption (example: Oxygen in liquid form)

{{Chembox Identifiers}}

Any abbreviations

CAS Number, links to eMolecules

ChEBI, links to EBI

EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=
EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=

InChI, no link
KEGG, links to genome.ad.jp
Medical Subject Headings, links to NIH
PubChem, links to pubchem
RTECS, no link
SMILES, no link

{{Chembox Properties}}: physical properties
Atmospheric OH rate constant
Its appearance
Boiling point, in plain text
Notes on boiling point
Density, including unit
The molecular formula
Henry's law constant (kH)
Partition coefficient
Molecular weight, including unit
Melting point, in plain text
Notes on melting point
pKa
pKb
Solubility in water
Solubility in other solvents, goes together with next
In which solvent it is soluble
Vapor pressure

{{Chembox Structure}}: crystal structure
Coordination
Crystal structure
Molecular shape

{{Chembox Thermochemistry}}

Delta Gf
Delta Hc
Delta Hf
Entropy
Heat capacity

{{Chembox Explosive}}

Shock sensitivity
Friction sensitivity
Explosive velocity
Relative effectiveness factor

{{Chembox Pharmacology}}: drug data
ATCvet=yes if the next two parameters define an ATCvet code
ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
Admin Routes
Bioavailability
Excretion
Half Life
Metabolism
Legal status
Legal status in AU

Legal status in CA

Legal status in NZ

Legal status in US

Legal status in UK

Legal status in EU

Legal status in UN

Pregnancy Category
Pregnancy Category in US

Pregnancy Category in AU

Protein Bound

{{Chembox Hazards}}

Autoignition temperature
EU Class
EU Index
Explosion limits
URL for Safety Data Sheet
Flash point
LD50
LC50
Main hazards
NFPA-F: Fire hazard 0–4 (red)
NFPA-H: Health hazard 0–4 (blue)
NFPA-R: Reactivity hazard 0–4 (yellow)
NFPA-S: Special hazards (aka Other; white): W, OX, COR, ALK, ACID, CRYO, RA
PEL
HPhrases: use the {{H-phrases}} template for this
PPhrases: use the {{P-phrases}} template for this

{{Chembox Related}}: related substances
The function
Other anions
Other cations
Other compounds: adds a chemical 'see also' section
Other function:

Full form

To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:

Long parameter list for {{Chembox}}

{{Chembox| Reference =<!-- Names -->| Name =| IUPACName =| SystematicName = | OtherNames = <!-- Images -->| ImageFile = | ImageAlt = | ImageCaption = | ImageFile1 = | ImageAlt1 = | ImageCaption1 = | ImageFile2 = | ImageAlt2 = | ImageCaption2 = | ImageFile3 = | ImageAlt3 = | ImageCaption3 = | ImageFile4 = | ImageAlt4 = | ImageCaption4 = | ImageFileL1 = | ImageAltL1 = | ImageCaptionL1 = | ImageFileR1 = | ImageSizeR1 = | ImageAltR1 = | ImageCaptionR1 = | ImageFileL2 = | ImageAltL2 = | ImageCaptionL2 = | ImageFileR2 = | ImageSizeR2 = | ImageAltR2 = | ImageCaptionR2 = <!-- Style settings -->| width =| style-left-column-width =<!-- Sections -->| Section1 = {{Chembox Identifiers| Abbreviations = | CASNo = | CASNo_Comment = | CASNo_Ref = | CASNos = | CASOther = | PubChem = | PubChem_Comment = | PubChem5 = | PubChem5_Comment = | PubChemOther = | ChemSpiderID = | ChemSpiderID_Comment = | ChemSpiderID5 = | ChemSpiderIDOther = | EINECS = | EC_number = | EC_number_Comment = | UNNumber = | DrugBank = | KEGG = | MeSHName = | ChEBI = | RTECS = | ATCvet = | ATCCode_prefix = | ATCCode_suffix = | ATC_Supplemental = | SMILES = | InChI = | Beilstein = | Gmelin = | 3DMet = }}| Section2 = {{Chembox Properties| Formula = | MolarMass = | Appearance = | Density = | MeltingPt = | MeltingPt_notes = | BoilingPt = | BoilingPt_notes = | LogP = | VaporPressure = | HenryConstant = | AtmosphericOHRateConstant = | pKa = | pKb = | Solubility = | SolubleOther = | Solvent = | Sheet Resistance = | Methacrylate Equiv Wt = | Bulk Conductivity =  }}| Section3 = {{Chembox Structure| CrystalStruct = | Coordination = | MolShape =  }}| Section4 = {{Chembox Thermochemistry| DeltaGf = | DeltaHc = | DeltaHf = | Entropy = | HeatCapacity =  }}| Section5 = {{Chembox Pharmacology| AdminRoutes = | Bioavail = | Metabolism = | HalfLife = | ProteinBound = | Excretion = | legal_status = | legal_AU = | legal_AU_comment = | legal_CA = | legal_CA_comment = | legal_NZ = | legal_NZ_comment = | legal_US = | legal_US_comment = | legal_UK = | legal_UK_comment = | legal_EU = | legal_EU_comment = | legal_UN = | legal_UN_comment = | pregnancy_category = | pregnancy_AU = | pregnancy_AU_comment = | pregnancy_US = | pregnancy_US_comment =   }}| Section6 = {{Chembox Explosive| ShockSens = | FrictionSens = | ExplosiveV = | REFactor =  }}| Section7 = {{Chembox Hazards| MainHazards = | NFPA-F = | NFPA-H = | NFPA-R = | NFPA-S = | ExternalSDS = | GHSPictograms = | GHSSignalWord = | HPhrases = | PPhrases = | FlashPt = | Autoignition = | ExploLimits = | LD50 = | PEL =  }}| Section8 = {{Chembox Related| OtherAnions = | OtherCations = | OtherFunction_label = | OtherFunction = | OtherCompounds =  }}}}

Chembox: Template name

Name: title above the box (DEFAULT: article name)
filename.svg (not [[image:filename.svg]]
picture size (example: ImageSize = 100px, default = 200px)
alt text for picture (example: Fine dry white powder)
Picture caption (example: Oxygen in liquid form)

the IUPAC name
hide IUPAC name if very long; show-button is displayed
the systematic name
any other name
reference; include <ref> </ref>s, add <references/> to the page

Section Identifiers: Standard numbers etc.

any abbreviations
CAS Number: links to eMolecules
- http://www.commonchemistry.org/

PubChem: links to http://pubchem.ncbi.nlm.nih.gov;
- up to 5 numbers
PubChem_Comment: comment at the number
PubChemOther: for other information

ChemSpider: links to http://www.chemspider.com; up to 5 numbers

EINECS: links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE = ECNO&ENTREE =
also EINECS, but URL is http://ecb.jrc.it/esis/index.php?GENRE = CASNO&ENTREE =

KEGG: links to genome.ad.jp
Medical Subject Headings: links to NIH
ChEBI: links to EBI
RTECS: no link
ATCvet = yes if the next two parameters define an ATCvet code
ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
SMILES: no link
InChI: no link

Section Properties: Physical properties

the molecular formula
molecular weight, including unit
Its appearance
Density, including unit.
Melting Point, including unit.
Notes on melting point.
Boiling Point, including unit.
Notes on boiling point.
Partition coefficient
Vapor pressure
Henry's law constant (kH)
Atmospheric OH rate constant
pKa
pKb

Sheet Resistance
Methacrylate Equiv Wt
Bulk Conductivity

Section Structure: Crystal structure information

Crystal Structure
Coordination
Molecular Shape

Section Thermochemistry: Thermochemical properties

Delta Gf
Delta Hc
Delta Hf
Entropy
Heat Capacity

Section Pharmacology: Pharmacology/drug data

Admin Routes
Bioavailability
Metabolism
Half Life
Protein Bound
Excretion
Legal status
Legal status in US
Legal status in UK
Legal status in AU
Legal status in CA
Pregnancy Category
Pregnancy Category in US
Pregnancy Category in AU

Section Explosive: Explosive properties

Shock Sensitivity
Friction Sensitivity
Explosive speed
RE Factor

Section Hazards: Hazards

URL for Safety Data Sheet
EU Index
Main Hazards
NFPA-F: NFPA 704 Fire hazard 0&ndahs;4 (red)
NFPA-H: NFPA 704 Health hazard 0&ndahs;4 (blue)
NFPA-R: NFPA 704 Reactivity hazard 0&ndahs;4 (yellow)
NFPA-O: NFPA 704 Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white)
HPhrases: use the {{H-phrases}} template for this
PPhrases: use the {{P-phrases}} template for this
Flash Point
Autoignition
Explosion Limits
LD50
PEL

Section Related: Related compounds etc.

Other Anions
Other Cations
Other Function: works with the next field
Function: the function
Other Compounds: chemical 'see also' section

-end

Indexed parameters

| CASNo = | CASNo1 = | CASNo2 = | CASNo3 = | CASNo4 = | CASNo5 = | CASNoOther =

Indexed parameters

Overview
(index numbers 2-3-4 omitted):

| CASNo =| CASNo1 =| CASNo5 =| CASNoOther =| ChEBI =| ChEBI1 =| ChEBI5 =| ChEBIOther =| ChEMBL =| ChEMBL1 =| ChEMBL5 =| ChEMBLOther =| ChemSpiderID =| ChemSpiderID1 =| ChemSpiderID5 =| ChemSpiderIDOther =| DrugBank =| DrugBank1 =| DrugBank5 =| DrugBankOther =| InChI =| InChI1 =| InChI5 =| InChIOther =| KEGG =| KEGG1 =| KEGG5 =| KEGGOther =| PubChem =| PubChem1 =| PubChem5 =| PubChemOther =| SMILES =| SMILES1 =| SMILES5 =| SMILESOther =| UNII =| UNII1 =| UNII5 =| UNIIOther =

Indexed parameters take indexes 'blank', 1–5 (six options together). They should have straight input, such as a correct CAS Registry Number.

Eight base parameters are indexed this way, all identifiers:

CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII

Then |_Other= (like |CASNoOther=) is available for free text input.

same substance, same index

When the chembox has multiple substances, you can use the index. Make sure that |CASNo3= and |SMILES3= are about the same substance, and |CASNo3= and |SMILES2= are not. Treat index "0" the same way:

|CASNo= is |InChI= is |SMILES=

|CASNo1= is |InChI1= is |SMILES1=

|CASNo= is not |InChI1= is not |SMILES4=

Labeling the substances

By using a parameter like |index2_label=, you can prefix every #2-input with that same prefix.

{{chembox| Name=[[Linalool]]|Section1={{Chembox Identifiers| index_label    =| index1_label   = (''R'')| index2_label   = (''S'')| index_comment  = (+/-)-linalool | index1_comment = (-)-linalool| index2_comment = (+)-linalool| CASNo    = 78-70-6| CASNo1   = 126-91-0| CASNo2   = 126-90-9| PubChem  = 6549| PubChem1 = 443158| PubChem2 = 67179  }}}}

| CASNo_Comment =| CASNo1_Comment =| CASNo5_Comment =

For specific additions, each parameter has a |_Comment= option.

Section subtemplates

The following section subtemplates are available:

And the automated section, that is visible when 'pagename (data page)' exists:

{{Chembox Supplement}}

See these subsections for their parameter options.

The order of these sections in the infobox is set by the section number (|Section#=) only. Not by the typed sequence. This documentation keeps this arbitrary order:

| Section1 = {{Chembox Identifiers}}| Section2 = {{Chembox Properties}}| Section3 = {{Chembox Structure}}| Section4 = {{Chembox Thermochemistry}}| Section5 = {{Chembox Explosive}}| Section6 = {{Chembox Pharmacology}}| Section7 = {{Chembox Hazards}}| Section9 = {{Chembox Related}}

Sections that are not used can be safely removed, renumbering is not necessary.

Adding images

Parameters

Image parameters for the first images:

{{Chembox<!-- Other chembox parameters can go here --><!-- Row 1/9 -->{{Chembox image| ImageFile = | ImageName = | ImageSize = | ImageAlt = | ImageCaption = | ImageFile_Ref =   }}<!-- Row 2/9 -->{{Chembox image| ImageFile1 = | ImageName1 = | ImageSize1 = | ImageAlt1 = | ImageCaption1 = | ImageFile1_Ref =   }}<!-- Row 3/9 -->{{Chembox image sbs| ImageFileL1 = | ImageNameL1 = | ImageSizeL1 = | ImageAltL1 = | ImageCaptionL1 = | ImageFileL1_Ref = | ImageFileR1 = | ImageNameR1 = | ImageSizeR1 = | ImageAltR1 = | ImageCaptionR1 = | ImageFileR1_Ref =   }}<!-- More chembox parameters can go here, like |Section1=... -->}}

Examples

Image parameters for an image (example: File1). All are optional.

Chembox
A caption shows here

Tracking categories (test):

{{Chembox| ImageFile1 = Furfural.svg| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen| ImageName1 = | ImageCaption1 = A caption shows here| ImageSize1 = 120px| ImageFile1_Ref =ref}}

Adding two images:

Chembox

Tracking categories (test):

{{Chembox| ImageFile = Furfural.svg| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen| ImageFile1 = Furfural-3D-vdW.png| ImageAlt1 = 3D filled-sphere model of the same molecule}}

This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).

Adding two images, side by side (L1 and R1):

Chembox

Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen

3D filled-sphere model of the same molecule

Tracking categories (test):

{{Chembox| ImageFileL1 = Furfural.svg| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen| ImageFileR1 = Furfural-3D-vdW.png| ImageAltR1 = 3D filled-sphere model of the same molecule}}

This gives one row with two images. Note that ImageFile is now not supplied.

Multiple images

Chembox images ordering
row 1	ImageFile
row 2	ImageFile1
row 3	ImageFileL1	ImageFileR1
row 4	ImageFileL2	ImageFileR2
row 5	ImageFile2
row 6	ImageFile3
row 7	ImageFileL3	ImageFileR3
row 8	ImageFileL4	ImageFileR4
row 9	ImageFile4

This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:

Chembox

ಹೆಸರುಗಳು

ಐಯುಪಿಎಸಿ ಹೆಸರು

example

>

Infobox references

Tracking categories (test):

{{Chembox| ImageFileL1 = Furfural.svg| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen| ImageFileR1 = Furfural-3D-vdW.png| ImageSizeR1 = | ImageAltR1 = 3D filled-sphere model of the same molecule| ImageFile2 = Water droplet blue bg05.jpg| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before| IUPACName = example}}

This gives one row with two images, and one row with one image.

Names

This parameter list:

{{Chembox<!-- Names -->| Name =| IUPACName =| IUPACNames =| PIN =| SystematicName =| OtherNames =<!-- other parameters -->}}

  Infobox title (Pagetitle is default)IUPAC name Using -s makes section header pluralPreferred IUPAC nameSystematic IUPAC nameList of all other name(s)

Example

*cis*-3-Hexen-1-ol
ಹೆಸರುಗಳು
ಐಯುಪಿಎಸಿ ಹೆಸರುs A, B
Preferred IUPAC name PIN
Systematic IUPAC name SYS
Other names X Y Z

Tracking categories (test):

{{Chembox| Name=''cis''-3-Hexen-1-ol| IUPACNames = A, B| PIN = PIN| SystematicName = SYS| OtherNames = X<br/>Y<br/>Z}}

Input from Wikidata

E number and ECHA InfoCard ID are read from Wikidata.

Maintenance

Troubleshooting

When supplying a parameter with a value, and nothing or the wrong value shows up, check:

Is the parameter placed in the correct section?
Are the sections properly defined? Sections start with | Section# = {{Chembox sectionname |" and end with "}}".
Is there inconsistency in the Section numbering? Available numbers for sections are 1 – 9.

Tracking categories

ವರ್ಗ:Chemical articles with unknown parameter in Chembox (೧೭)
See also: Category:Chembox tracking categories

Search

ಟೆಂಪ್ಲೇಟು:Chembox

ಪರಿವಿಡಿ

Usage

Small, simple form

Medium form

Full form

Indexed parameters

same substance, same index

Labeling the substances

Section subtemplates

Adding images

Parameters

Examples

Multiple images

Names

Example

Input from Wikidata

Maintenance

Troubleshooting

Tracking categories

See also

Identifiers
Compounds (+/-)-linalool (R): (-)-linalool (S): (+)-linalool
CAS Number	78-70-6 (R): 126-91-0 (S): 126-90-9
PubChem CID	6549 (R): 443158 (S): 67179