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Revision as of 18:20, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,101 edits Saving copy of the {{chembox}} taken from revid 476633338 of page 4-Nitroaniline for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey').← Previous edit Revision as of 18:21, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,101 edits Saving copy of the {{chembox}} taken from revid 448270420 of page 4-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 = 447855620
| Verifiedfields = changed
|IUPACName=4-nitrobenzoic acid
| Watchedfields = changed
⚫ | ImageFile = 4-nitrobenzoic acid.svg
⚫ | verifiedrevid = 456503334
⚫ | ImageSize = 70px
| Name = p-Nitroaniline
|OtherNames=''p''-nitrobenzoic acid
⚫ | ImageFile = p-Nitroanilin.svg
⚫ |Section1= {{Chembox Identifiers
⚫ | ImageSize = 60px
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ImageName = p-nitroaniline|
⚫ | ChemSpiderID = 5882
| OtherNames = 4-nitroaniline</br>1-amino-4-nitrobenzene</br>p-nitrophenylamine
⚫ | InChI = 1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
⚫ | Section1 = {{Chembox Identifiers
| InChIKey = OTLNPYWUJOZPPA-UHFFFAOYAB
| UNII_Ref = {{fdacite|correct|FDA}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| UNII = 1MRQ0QZG7G
| ChEMBL = 101263
⚫ | ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | ChemSpiderID = 7195
⚫ | StdInChI = 1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
⚫ | SMILES = c1cc(ccc1N)N(=O)=O
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | InChI = 1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
⚫ | StdInChIKey = OTLNPYWUJOZPPA-UHFFFAOYSA-N
| InChIKey = TYMLOMAKGOJONV-UHFFFAOYAW
⚫ | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
⚫ | StdInChI = <!-- blanked - oldvalue: 1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2 -->
⚫ | StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
⚫ | StdInChIKey = <!-- blanked - oldvalue: TYMLOMAKGOJONV-UHFFFAOYSA-N -->
⚫ | ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 14282 -->
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 100-01-6 | CASNo=62-23-7
| PubChem=6108
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 262350
⚫ | SMILES = O=()c1ccc(C(=O)O)cc1
⚫ }}
|Section2= {{Chembox Properties
⚫ | Formula=C<sub>7</sub>H<sub>5</sub>NO<sub>4</sub>
| MolarMass= 167.1189 g/mol<ref name="pubchem">{{cite web |url=http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6108 |accessdate=11. April 2010 |title="4-nitrobenzoic acid - PubChem Public Chemical Database"}}</ref>
| Appearance=Light yellow crystalline powder<ref name="msds.chem.ox.ac.uk">{{cite web |url=http://msds.chem.ox.ac.uk/NI/p-nitrobenzoic_acid.html |title="Safety data for p-nitrobenzoic acid" |accessdate=11. April 2010}}</ref>
| Density= 1.58<ref name="msds.chem.ox.ac.uk"/>
| MeltingPt= 237 °C<ref name="msds.chem.ox.ac.uk"/>
| BoilingPt=Sublimes<ref name="msds.chem.ox.ac.uk"/>
| Solubility=&lt;0.1 g/100 mL at 26 ºC <ref name="chemicalbook">{{cite web |url=http://www.chemicalbook.com/ChemicalProductProperty_EN_CB4252540.htm |title="p-Nitrobenzoic acid" |accessdate=11. April 2010}}</ref>
| pKa= 3.41 (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>, 9.1 (in ])<ref name="bordwell">{{cite web |url=http://www.chem.wisc.edu/areas/reich/pkatable |title="Bordwell pKa Table (Acidity in DMSO)" |accessdate=11. April 2010}}</ref>
}} }}
| Section2 = {{Chembox Properties |Section3= {{Chembox Hazards
⚫ | MainHazards=
⚫ | Formula = C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O<sub>2</sub>
⚫ | FlashPt=
| MolarMass = 138.12 g/mol
| Autoignition=
| Appearance = yellow or brown powder
| Density = 1.437 g/ml, solid
| Solubility = 0.8 mg/ml at 18.5°C (IPCS)
| MeltingPt = 146-149 °C(lit.)
| BoilingPt = 332 °C
}} }}
| Section7 = {{Chembox Hazards |Section8= {{Chembox Related
| OtherCpds= ]<br>]<br>]<br>], ], ]
| ExternalMSDS =
⚫ | MainHazards = Toxic
| EUClass = {{hazchem T}} {{hazchem N}}
| NFPA-H = 2
| NFPA-F = 1
| NFPA-R = 0
| NFPA-O =
| RPhrases = {{R23/24/25}} {{R33}} {{R52/53}}
| SPhrases = {{S28}} {{S36/37}} {{S45}} {{S61}}
⚫ | FlashPt = 199 °C
⚫ }}
| Section8 = {{Chembox Related
| OtherCpds = ], ]
}} }}
}} }}

Revision as of 18:21, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 448270420 of page 4-Nitrobenzoic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 4-nitrobenzoic acid
Other names p-nitrobenzoic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N
  • InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)Key: OTLNPYWUJOZPPA-UHFFFAOYAB
SMILES
  • O=()c1ccc(C(=O)O)cc1
Properties
Chemical formula C7H5NO4
Molar mass 167.1189 g/mol
Appearance Light yellow crystalline powder
Density 1.58
Melting point 237 °C
Boiling point Sublimes
Solubility in water <0.1 g/100 mL at 26 ºC
Acidity (pKa) 3.41 (in water), 9.1 (in DMSO)
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. ""4-nitrobenzoic acid - PubChem Public Chemical Database"". Retrieved 11. April 2010. {{cite web}}: Check date values in: |accessdate= (help)
  2. ^ ""Safety data for p-nitrobenzoic acid"". Retrieved 11. April 2010. {{cite web}}: Check date values in: |accessdate= (help)
  3. ""p-Nitrobenzoic acid"". Retrieved 11. April 2010. {{cite web}}: Check date values in: |accessdate= (help)
  4. ""Dissociation Constants Of Organic Acids And Bases"". Retrieved 11. April 2010. {{cite web}}: Check date values in: |accessdate= (help)
  5. ""Bordwell pKa Table (Acidity in DMSO)"". Retrieved 11. April 2010. {{cite web}}: Check date values in: |accessdate= (help)
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