टेम्पलेट:Chembox

विकिपीडिया से
सीधे इहाँ जाईं: नेविगेशन, खोजीं
Chembox
अगर अन्य जानकारी न दिहल गइल होखे, पदार्थन खाती आँकड़ा उनहन के स्टैंडर्ड स्टेट (25 °C [77 °F], 100 kPa पर) बतावल गइल बा।
ज्ञानसंदूक संदर्भ
Template documentation[view] [edit] [history] [purge]

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[संपादन]

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[संपादन]

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[संपादन]

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[संपादन]

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

Indexed parameters[संपादन]

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

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[संपादन]

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[संपादन]

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
  }}
}}
Linalool
Identifiers
  • Compounds
  • (+/-)-linalool
  • (R): (-)-linalool
  • (S): (+)-linalool
  • Tracking categories (test):
| CASNo_Comment =
| CASNo1_Comment =
| CASNo5_Comment =
  • For specific additions, each parameter has a |_Comment= option.

Section subtemplates[संपादन]

The following section subtemplates are available:

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

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[संपादन]

Parameters[संपादन]

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[संपादन]

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

Chembox
Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
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
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
| 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[संपादन]

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
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
Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
Names
IUPAC name
example
ज्ञानसंदूक संदर्भ
  • 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[संपादन]

This parameter list: देखीं · edit
{{Chembox
<!-- Names -->
| Name =
| IUPACName =
| IUPACNames =
| PIN =
| SystematicName =
| OtherNames =
<!-- other parameters -->
}}
 
 
Infobox title (Pagetitle is default)
IUPAC name
 Using -s makes section header plural
Preferred IUPAC name
Systematic IUPAC name
List of all other name(s)
 
 


Example[संपादन]

cis-3-Hexen-1-ol
Names
IUPAC names
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[संपादन]

E number and ECHA InfoCard ID are read from Wikidata.

Maintenance[संपादन]

Troubleshooting[संपादन]

  • 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[संपादन]

See also[संपादन]