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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 457134286 of page 4-Nitrochlorobenzene for the Chem/Drugbox validation project (updated: 'KEGG').← 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 453487333 of page 4-Nitrophenol 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 = 443655101
| Verifiedfields = changed
| ImageFileR1 = 4-nitrophenol-sample.jpg
⚫ | verifiedrevid = 392102521
| ImageSizeR1 = 150px
| Name = 4-nitrochlorobenzene
| ImageFileL1 = 4-Nitrophenol acsv.svg
| ImageFile = 4-chloronitrobenzene.png
| ImageSize = 150px | ImageSizeL1 = 150px
| IUPACName = 1-Chloro-4-nitrobenzene | IUPACName = 4-Nitrophenol
| OtherNames = ''p''-Nitrophenol<br />''para''-Nitrophenol<br>4-Hydroxynitrobenzene<br />PNP
| OtherNames = 4-Chloro-1-nitrobenzene; 4-Chloronitrobenzene; ''p''-Nitrochlorobenzene; PNCBO
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | KEGG_Ref = {{keggcite|correct|kegg}}
⚫ | SMILES = ClC1=CC=C(()=O)C=C1
| CASNo = 100-00-5 | KEGG = C00870
| InChI = 1/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| InChIKey = BTJIUGUIPKRLHP-UHFFFAOYAP
| SMILES1 = c1cc(ccc1(=O))O
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 14130
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = BTJIUGUIPKRLHP-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 100-02-7
⚫ | PubChem = 980
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 7194 | ChemSpiderID = 955
| UNII_Ref = {{fdacite|correct|FDA}}
⚫ | PubChem =
| RTECS = | UNII = Y92ZL45L4R
| KEGG_Ref = {{keggcite|changed|kegg}} | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 16836
| KEGG = <!-- blanked - oldvalue: C14456 -->
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB04417
⚫ | SMILES = O=()c1ccc(O)cc1
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=6|H=4|O=2|N=1|Cl=1 | C = 6 | H = 5 | N = 1 | O = 3
| Appearance = Light yellow solid | Appearance = Colorless or yellow pillars
| Density = 1.52 g/cm³ (20 °C) | Density =
| Solubility = Insoluble | MeltingPt = 113–114 °C
⚫ | BoilingPtC = 279
| SolubleOther = Soluble in toluene, ether, acetone, hot ethanol
| Solubility = 10 g/L (15 °C)<br />11.6 g/L (20 °C)<br />16 g/L (25 °C)
| Solvent = other solvents
| MeltingPtC = 83.6
⚫ | BoilingPtC = 242.0
| pKa =
| Viscosity =
| Dipole =
| RefractIndex =
}} }}
| Section7 = {{Chembox Hazards | Section3 = {{Chembox Hazards
⚫ | MainHazards =
| ExternalMSDS =
⚫ | MainHazards =
| FlashPt = 12 °C
| RPhrases =
| SPhrases =
| NFPA-H =
| NFPA-F =
| NFPA-R =
| Autoignition =
| FlashPt = | FlashPt =
| LD50 = | Autoignition =
}} }}
}} }}

Revision as of 18:21, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 453487333 of page 4-Nitrophenol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 4-Nitrophenol
Other names p-Nitrophenol
para-Nitrophenol
4-Hydroxynitrobenzene
PNP
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8HKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
  • InChI=1/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8HKey: BTJIUGUIPKRLHP-UHFFFAOYAP
SMILES
  • O=()c1ccc(O)cc1
  • c1cc(ccc1(=O))O
Properties
Chemical formula C6H5NO3
Molar mass 139.110 g·mol
Appearance Colorless or yellow pillars
Melting point 113–114 °C
Boiling point 279 °C (534 °F; 552 K)
Solubility in water 10 g/L (15 °C)
11.6 g/L (20 °C)
16 g/L (25 °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