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Revision as of 17:29, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473188404 of page 2-Nitrocinnamaldehyde for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 17:29, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 425314669 of page 2-Nitrodiphenylamine for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
⚫ | verifiedrevid = 399299363
| Watchedfields = changed
| Name = 2-Nitrodiphenylamine
⚫ | verifiedrevid = 456499857
| ImageFile = Nitrodiphenylamine.png
| Reference=<ref>http://www.21cnlab.com/chemdict/MSDS/62967.html 2-Nitrocinnamaldehyde MSDS</ref>
| ImageSize = 200px
| ImageFile = 2-nitrocinnamaldehyde.svg
| ImageSize = 160px | ImageName =
| IUPACName = (''E'')-3-(2-Nitrophenyl)prop-2-enal | IUPACName =
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEMBL = 53723 | ChemSpiderID = 8100
| InChI = 1/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
| PubChem = 5367122
| InChIKey = RUKISNQKOIKZGT-UHFFFAOYAD
| InChI = 1/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
| SMILES1 = (=O)c2ccccc2Nc1ccccc1
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+ | StdInChI = 1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
⚫ | SMILES = O=()c1ccccc1\C=C\C=O
| InChIKey = VMSMELHEXDVEDE-HWKANZROBN
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = VMSMELHEXDVEDE-HWKANZROSA-N | StdInChIKey = RUKISNQKOIKZGT-UHFFFAOYSA-N
| CASNo = <!-- blanked - oldvalue: 119-75-5 -->
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | SMILES = O=()C1=C(NC2=CC=CC=C2)C=CC=C1
| ChemSpiderID = 4518729
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>9</sub>H<sub>7</sub>O<sub>3</sub>N
| Appearance = Pale yellow crystalline powder
| Density =
| MeltingPt = 124–126&nbsp;°C
| BoilingPt =
| Solubility = Slightly soluble
}} }}
| Section3 = {{Chembox Hazards | Section2 = {{Chembox Properties
| C=12|H=10|N=2|O=2
| MainHazards =
| RPhrases = | Density =
| SPhrases = {{S24}} {{S25}} | MeltingPt = 74 - 75 °C
| NFPA-H = | BoilingPt =
| NFPA-F =
| NFPA-R =
| NFPA-O =
}} }}
}} }}

Revision as of 17:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 425314669 of page 2-Nitrodiphenylamine with values updated to verified values.
2-Nitrodiphenylamine
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13HKey: RUKISNQKOIKZGT-UHFFFAOYSA-N
  • InChI=1/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13HKey: RUKISNQKOIKZGT-UHFFFAOYAD
SMILES
  • O=()C1=C(NC2=CC=CC=C2)C=CC=C1
  • (=O)c2ccccc2Nc1ccccc1
Properties
Chemical formula C12H10N2O2
Molar mass 214.224 g·mol
Melting point 74 - 75 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound