সাঁচ:Chembox

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

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[সম্পাদনা কৰক]

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[সম্পাদনা কৰক]

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[সম্পাদনা কৰক]

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

{{Chembox
| Reference = 
<!-- Names -->
| Name = 
| IUPACName = 
| PIN = 
| SystematicName = not
| OtherNames = {{Unbulleted list
  | ''name1''
  | ''name2''
  ...
  | ''name50''
  }}
| data page pagename = 
<!-- Images -->
| ImageFile = 
| ImageSize = 
| ImageAlt = 
| ImageName = 
| ImageCaption = 
| ImageFile1 = 
| ImageSize1 = 
| ImageAlt1 = 
| ImageName1 = 
| ImageCaption1 = 
| ImageFile2 = 
| ImageSize2 = 
| ImageAlt2 = 
| ImageName2 = 
| ImageCaption2 = 
| 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 = 
  }}
}}
.
Reference, use <ref></ref> and add <references></references> to the page

Title (default: article name)
IUPAC name
The prefered name
The systematic name(s)
Any other name(s)
 .
 .
 .
 .
 .
A non-default data page name (default, eg for ammonia: "[[Ammonia (data page)]]")

Like filename.svg (not [[file:filename.svg]])
Picture width (default=220px; example: ImageSize=100px)
Alt text for picture (example: Fine dry white powder)
Image link title
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 description; optional. E.g. "Decomposes at" Temperature, number only. Can be a range: '100 to 200'

Notes on boiling point Density, including unit The molecular formula Henry's law constant (kH) Partition coefficient Molecular weight, including unit Melting point description; optional. E.g. "Decomposes at" Temperature, number only. Can be a range: '100 to 200'

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 AU Pregnancy Category in US Protein Bound {{Chembox Hazards}} Autoignition temperature Explosion limits 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 URL for Safety data sheet HPhrases: use the {{H-phrases}} template for this PPhrases: use the {{P-phrases}} template for this {{Chembox Related}}: related substances Other anions Other cations Other compounds with a given function The given function
Other compounds: adds a chemical 'see also' section

Full form[সম্পাদনা কৰক]

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

Indexed parameters[সম্পাদনা কৰক]

| 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[সম্পাদনা কৰক]

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[সম্পাদনা কৰক]

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
চিনাক্তকাৰী
  • 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[সম্পাদনা কৰক]

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[সম্পাদনা কৰক]

Parameters[সম্পাদনা কৰক]

Image parameters for the first images:

{{Chembox
<!-- Other chembox parameters can go here -->
<!-- Row 1/7 -->
| ImageFile = 
| ImageName = 
| ImageSize = 
| ImageAlt = 
| ImageCaption = 
| ImageFile_Ref = 
<!-- Row 2/7 -->
| ImageFile1 = 
| ImageName1 = 
| ImageSize1 = 
| ImageAlt1 = 
| ImageCaption1 = 
| ImageFile1_Ref = 
<!-- Row 3/7 -->
| ImageFileL1 = 
| ImageNameL1 = 
| ImageSizeL1 = 
| ImageAltL1 = 
| ImageCaptionL1 = 
| ImageFileL1_Ref = 

| ImageFileR1 = 
| ImageNameR1 = 
| ImageSizeR1 = 
| ImageAltR1 = 
| ImageCaptionR1 = 
| ImageFileR1_Ref = 

| ImageCaptionL1R1 = 
<!-- More chembox parameters can go here, like |Section1=... -->
}}

Examples[সম্পাদনা কৰক]

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 = 
| 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[সম্পাদনা কৰক]

সাঁচ:Chembox/doc/image-ordering

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
নামসমূহ
IUPAC নাম
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[সম্পাদনা কৰক]

This parameter list: view · 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[সম্পাদনা কৰক]

cis-3-Hexen-1-ol
নামসমূহ
IUPAC নামs
A, B
preferred IUPAC name
PIN
পদ্ধতিগত IUPAC নাম
SYS
অন্যান্য নাম
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[সম্পাদনা কৰক]

E number and ECHA InfoCard ID are read from Wikidata.

Maintenance[সম্পাদনা কৰক]

Troubleshooting[সম্পাদনা কৰক]

  • 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[সম্পাদনা কৰক]

Template Data[সম্পাদনা কৰক]

See also[সম্পাদনা কৰক]