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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 473188382 of page 3-Nitrobenzaldehyde for the Chem/Drugbox validation project (updated: '').← 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 420675070 of page 3-Nitrobenzanthrone 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 = 399314073
| Watchedfields = changed
⚫ | ImageFile = 3-Nitrobenzanthrone.png
⚫ | verifiedrevid = 413268422
| ImageSize = 200px
| Reference=<ref></ref><ref></ref>
| IUPACName = 3-Nitro-3,3a-dihydro-benzoanthracen-7-one
⚫ | ImageFile = 3-nitrobenzaldehyde.svg
| ImageSize = 120px | OtherNames =
⚫ | Section1 = {{Chembox Identifiers
| IUPACName = 3-Nitrobenzaldehyde
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| OtherNames = ''m''-Nitrobenzaldehyde
⚫ | ChemSpiderID = 2103821
⚫ | Section1 = {{Chembox Properties
| 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
| C = 7
| InChIKey = QAJOWHGESRCVLY-UHFFFAOYAK
| H = 5
| SMILES1 = (=O)c2c1cccc4c1c(cc2)c3c(cccc3)C4=O
| O = 3
| N = 1
| Appearance = Yellowish to brownish crystalline powder or granulate
| Density =
| MeltingPt = 58.5 °C, 331.7 K, 137.3 °F
| BoilingPtC = 164
| Boiling_notes = at 23 mmHg
| Solubility = 16.3 mg/mL
⚫ }}
⚫ | Section2 = {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 7169
| InChI = 1/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
| SMILES = O=()c1cc(C=O)ccc1
| InChIKey = ZETIVVHRRQLWFW-UHFFFAOYAC
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 238132
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H | 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
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = ZETIVVHRRQLWFW-UHFFFAOYSA-N | StdInChIKey = QAJOWHGESRCVLY-UHFFFAOYSA-N
| CASNo = <!-- blanked - oldvalue: 17117-34-9 -->
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 99-61-6 | PubChem =
| SMILES = O=C2C1=CC=CC=C1C4=C3C2=CC=CC3C(()=O)C=C4
}}
⚫ }}
⚫ | Section7 = {{Chembox Hazards
⚫ | Section2 = {{Chembox Properties
| MainHazards = Harmful,Potentially mutagenic
| Formula = C<sub>17</sub>H<sub>9</sub>NO<sub>3</sub>
| RPhrases = {{R20}} {{R21}} {{R22}}
| MolarMass = 275.26 g/mol
| SPhrases = {{S26}} {{S28}}
| NFPA-H = 2 | Appearance =
| NFPA-F = 1 | Density =
| 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>
| NFPA-R = 0
| BoilingPt =
| NFPA-O =
}} | Solubility = }}
⚫ | Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition = }}
}} }}

Revision as of 17:59, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 420675070 of page 3-Nitrobenzanthrone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 3-Nitro-3,3a-dihydro-benzoanthracen-7-one
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=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/h1-9HKey: QAJOWHGESRCVLY-UHFFFAOYSA-N
  • 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/h1-9HKey: QAJOWHGESRCVLY-UHFFFAOYAK
SMILES
  • O=C2C1=CC=CC=C1C4=C3C2=CC=CC3C(()=O)C=C4
  • (=O)c2c1cccc4c1c(cc2)c3c(cccc3)C4=O
Properties
Chemical formula C17H9NO3
Molar mass 275.26 g/mol
Melting point 248 °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
  1. Hansen, Tanja; Seidel, Albrecht; Borlak, Juergen (2007). "The environmental carcinogen 3-nitrobenzanthrone and its main metabolite 3-aminobenzanthrone enhance formation of reactive oxygen intermediates in human A549 lung epithelial cells". Toxicology and Applied Pharmacology. 221 (2): 222–234. doi:10.1016/j.taap.2007.03.003. PMID 17477947.{{cite journal}}: CS1 maint: multiple names: authors list (link)