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Revision as of 17:59, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 420675070 of page 3-Nitrobenzanthrone for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 17:59, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 413269604 of page 3-Nitrobenzoic_acid for the Chem/Drugbox validation project (updated: '').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 = 399314073 | verifiedrevid = 413268616
| ImageFileL1 = 3-nitrobenzoic acid.svg
| ImageFile = 3-Nitrobenzanthrone.png
| ImageSize = 200px | ImageSizeL1 = 110px
| ImageNameL1 = Skeletal formula
| IUPACName = 3-Nitro-3,3a-dihydro-benzoanthracen-7-one
| ImageFileR1 = 3-Nitrobenzoic-acid-3D-balls.png
| OtherNames =
| ImageSizeR1 = 130px
⚫ | Section1 = {{Chembox Identifiers
| ImageNameR1 = Ball-and-stick model
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
|IUPACName=3-nitrobenzoic acid
⚫ | ChemSpiderID = 2103821
|OtherNames=''m''-nitrobenzoic acid
| InChI = 1/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H
⚫ |Section1= {{Chembox Identifiers
| InChIKey = QAJOWHGESRCVLY-UHFFFAOYAK
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| SMILES1 = (=O)c2c1cccc4c1c(cc2)c3c(cccc3)C4=O
⚫ | ChemSpiderID = 8183
| InChI = 1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
| InChIKey = AFPHTEQTJZKQAQ-UHFFFAOYAS
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 274839
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H | StdInChI = 1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QAJOWHGESRCVLY-UHFFFAOYSA-N | StdInChIKey = AFPHTEQTJZKQAQ-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = <!-- blanked - oldvalue: 17117-34-9 -->
| CASNo=121-92-6
| PubChem = | PubChem=8497
| SMILES = O=C2C1=CC=CC=C1C4=C3C2=CC=CC3C(()=O)C=C4
| SMILES = O=()c1cc(C(=O)O)ccc1
}} }}
| Section2 = {{Chembox Properties |Section2= {{Chembox Properties
| Formula = C<sub>17</sub>H<sub>9</sub>NO<sub>3</sub> | Formula=C<sub>7</sub>H<sub>5</sub>NO<sub>4</sub>
| MolarMass = 275.26 g/mol | MolarMass= 167.12 g/mol
| Appearance = | Appearance=
| Density = | Density= 1.494
| MeltingPt= 139-141 °C
| MeltingPt = 248 °C<ref>{{cite journal |title=The environmental carcinogen 3-nitrobenzanthrone and its main metabolite 3-aminobenzanthrone enhance formation of reactive oxygen intermediates in human A549 lung epithelial cells |author=Hansen, Tanja; Seidel, Albrecht; Borlak, Juergen |journal=Toxicology and Applied Pharmacology |year=2007 |volume=221 |issue=2 |pages=222–234 |doi=10.1016/j.taap.2007.03.003 |pmid=17477947}}</ref>
| BoilingPt = | BoilingPt=
| Solubility= 0.24 g/100 mL (15 °C)
| Solubility = }}
| pKa= 3.47 (in water)<ref name="pkaValues">{{cite web |url=http://www.zirchrom.com/organic.htm |accessdate=11. April 2010 |title="Dissociation Constants Of Organic Acids And Bases"}}</ref>
⚫ | Section3 = {{Chembox Hazards
}}
⚫ | MainHazards =
⚫ |Section3= {{Chembox Hazards
⚫ | FlashPt =
⚫ | MainHazards=
⚫ | Autoignition = }}
⚫ | FlashPt=
⚫ | Autoignition=
}}
|Section8= {{Chembox Related
| OtherCpds= ]<br>]<br>]<br>]<br>]<br>]
}}
}} }}

Revision as of 17:59, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 413269604 of page 3-Nitrobenzoic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula
Skeletal formula
Ball-and-stick model
Ball-and-stick model
Names
IUPAC name 3-nitrobenzoic acid
Other names m-nitrobenzoic acid
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N
  • InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)Key: AFPHTEQTJZKQAQ-UHFFFAOYAS
SMILES
  • O=()c1cc(C(=O)O)ccc1
Properties
Chemical formula C7H5NO4
Molar mass 167.12 g/mol
Density 1.494
Melting point 139-141 °C
Solubility in water 0.24 g/100 mL (15 °C)
Acidity (pKa) 3.47 (in water)
Related compounds
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
  1. ""Dissociation Constants Of Organic Acids And Bases"". Retrieved 11. April 2010. {{cite web}}: Check date values in: |accessdate= (help)