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Revision as of 18:21, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 448270420 of page 4-Nitrobenzoic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 18:21, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457134286 of page 4-Nitrochlorobenzene for the Chem/Drugbox validation project (updated: 'KEGG').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
| Verifiedfields = changed
| verifiedrevid = 447855620 | verifiedrevid = 392102521
|IUPACName=4-nitrobenzoic acid
| Name = 4-nitrochlorobenzene
| ImageFile = 4-nitrobenzoic acid.svg | ImageFile = 4-chloronitrobenzene.png
| ImageSize = 70px | ImageSize = 150px
|OtherNames=''p''-nitrobenzoic acid
| IUPACName = 1-Chloro-4-nitrobenzene
⚫ |Section1= {{Chembox Identifiers
| OtherNames = 4-Chloro-1-nitrobenzene; 4-Chloronitrobenzene; ''p''-Nitrochlorobenzene; PNCBO
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | Section1 = {{Chembox Identifiers
⚫ | ChemSpiderID = 5882
⚫ | SMILES = ClC1=CC=C(()=O)C=C1
| InChI = 1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
⚫ | CASNo = 100-00-5
| InChIKey = OTLNPYWUJOZPPA-UHFFFAOYAB
| ChEMBL_Ref = {{ebicite|correct|EBI}} | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEMBL = 101263
⚫ | ChemSpiderID = 7194
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | PubChem =
| StdInChI = 1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
| RTECS =
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| KEGG_Ref = {{keggcite|changed|kegg}}
| StdInChIKey = OTLNPYWUJOZPPA-UHFFFAOYSA-N
| KEGG = <!-- blanked - oldvalue: C14456 -->
| CASNo_Ref = {{cascite|correct|CAS}}
⚫ | CASNo=62-23-7
⚫ | PubChem=6108
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 262350
⚫ | SMILES = O=()c1ccc(C(=O)O)cc1
}} }}
|Section2= {{Chembox Properties | Section2 = {{Chembox Properties
| C=6|H=4|O=2|N=1|Cl=1
| Formula=C<sub>7</sub>H<sub>5</sub>NO<sub>4</sub>
| Appearance = Light yellow solid
| 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>
| Density = 1.52 g/cm³ (20 °C)
| 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>
| Solubility = Insoluble
| Density= 1.58<ref name="msds.chem.ox.ac.uk"/>
| SolubleOther = Soluble in toluene, ether, acetone, hot ethanol
| MeltingPt= 237 °C<ref name="msds.chem.ox.ac.uk"/>
| Solvent = other solvents
| BoilingPt=Sublimes<ref name="msds.chem.ox.ac.uk"/>
| MeltingPtC = 83.6
| 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>
| BoilingPtC = 242.0
| 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>
| pKa =
| Viscosity =
| Dipole =
| RefractIndex =
}} }}
|Section3= {{Chembox Hazards | Section7 = {{Chembox Hazards
| ExternalMSDS =
| MainHazards=
| FlashPt= | MainHazards =
| FlashPt = 12 °C
⚫ | Autoignition=
| RPhrases =
}}
| SPhrases =
|Section8= {{Chembox Related
| NFPA-H =
| OtherCpds= ]<br>]<br>]<br>], ], ]
| NFPA-F =
| NFPA-R =
⚫ | Autoignition =
| FlashPt =
| LD50 =
}} }}
}} }}

Revision as of 18:21, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 457134286 of page 4-Nitrochlorobenzene with values updated to verified values.
4-nitrochlorobenzene
Names
IUPAC name 1-Chloro-4-nitrobenzene
Other names 4-Chloro-1-nitrobenzene; 4-Chloronitrobenzene; p-Nitrochlorobenzene; PNCBO
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
SMILES
  • ClC1=CC=C(()=O)C=C1
Properties
Chemical formula C6H4ClNO2
Molar mass 157.55 g·mol
Appearance Light yellow solid
Density 1.52 g/cm³ (20 °C)
Melting point 83.6 °C (182.5 °F; 356.8 K)
Boiling point 242.0 °C (467.6 °F; 515.1 K)
Solubility in water Insoluble
Solubility in other solvents Soluble in toluene, ether, acetone, hot ethanol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound