# வார்ப்புரு:Chembox/doc



Template 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

### Adding a Chembox with its sections
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 out, and within a section parameters can be added or omitted ( blank).  

The sections and their parameters are listed below.  

Within the general chembox template (with its own parameters like and ), each section is added with this pattern (as the value of a parameter .  
<pre>  
</pre>  

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 . Then a section is defined with <code>"| section# = "</code>. Sections cannot 'nest': one must close one section with <code>}}</code> before adding another .  

Keep in mind the advice in the main Infobox documentation to use the 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 , since many names use commas within them, and using commas as separators leads to ambiguity. For example:  
<pre>  
| OtherNames =  
| (next parameter) =  
</pre>  

#### Small, simple form
To use, simply copy and paste the column into the document, filling in whatever you can, and save:  

| <pre>

</pre> | } |
| --- | --- |

#### Medium form

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

<table><tr><td>  
<pre>  

</pre>  
</td><td>  

</td></td></table>  

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

| <pre>

</pre> | <pre>
Chembox: Template name
* Name: title above the box (DEFAULT: article name)
* filename.svg (**not**
* picture size (example: ImageSize = , default = )
* 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 s, add 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 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 and/or 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 Class
* 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)
* RPhrases: use the template for this
* SPhrases: use the ? template for this
* RSPhrases: or use the combination of the two above
* 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
</pre> | } |
| --- | --- | --- |

#### Indexed parameters
<div>  
<pre>  
| CASNo =  
| CASNo1 =  
| CASNo2 =  
| CASNo3 =  
| CASNo4 =  
| CASNo5 =  
| CASNoOther =  
</pre>  
<pre>  
| CASNo_Comment =  
| CASNo1_Comment =  
| CASNo5_Comment =  
</pre>  

Overview  
(index numbers 2-3-4 omitted):  
<pre>  
| 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 =  
</pre>  

</div>  
Indexed parameters take indexes 'blank'&ndash;1&ndash;5 (six options). They should have straight input, such as a correct CAS Registry Number. Each parameter can have a comment: .  

- Eight base parameters are indexed this way, all identifiers:
:<code>CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII</code>  

- Then (like ) is available for free text input.

;same substance, same index  
When the chembox has multiple substances, *use the index*. Make sure that and are about the same substance, and and are *not*. Treat index "0" the same way:  
: is is  
: is is  
: is *not* is *not*  

#### Section subtemplates
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* only. Not by the typed sequence. This documentation keeps this arbitrary order:  
<pre>  
| Section1 =  
| Section2 =  
| Section3 =  
| Section4 =  
| Section5 =  
| Section6 =  
| Section7 =  
| Section9 =  
</pre>  
Sections that are not used can be safely removed, renumbering is not necessary.  

## Adding images

### Parameters
Image parameters for the first images:  
<pre>  
</pre>  

</td></td></table>  

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

<pre>  

</pre>  

Adding two images:  

<pre>  

</pre>  

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):  

<pre>  

</pre>  

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

### Multiple images

**ImageFile1**

| ImageFileL1 | ImageFileR1 |
| --- | --- |
| ImageFileL2 | ImageFileR2 |
| ImageFile2 |  |
| ImageFile3 |  |
| ImageFileL3 | ImageFileR3 |
| ImageFileL4 | ImageFileR4 |
| ImageFile4 | } |

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

<pre>  

</pre>  

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

## Names

### Example

<pre>  
</pre>  

### Troubleshooting
- When supplying a parameter with a value, and nothing or the wrong value shows up, check:
:* Is the parameter spelled correct, and capitalised correct?  
:* Is the parameter placed in the correct section?  
:* Is the parameter supplied twice? It will use the value of the second instance  
:* Are the sections properly defined. Sections start with .  
:* Is there inconsistency in the sectionnumbering? Available numbers for sections are 1 &ndash; 9.  

### Maintenance
::Category:Chembox maintenance categories