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Revision as of 17:28, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476626617 of page 2-Nitroaniline for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'StdInChI', 'StdInChIKey').← Previous edit Revision as of 17:29, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 473188357 of page 2-Nitrobenzaldehyde 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
| Verifiedfields = changed
| Watchedfields = changed | Watchedfields = changed
| verifiedrevid = 393563665 | verifiedrevid = 413114560
| Reference=<ref></ref><ref></ref>
| Name = 2-Nitroaniline
| ImageFile = 2-nitroaniline chemical structure.png | ImageFile = 2-nitrobenzaldehyde.svg
| ImageSize = 150px | ImageSize = 130px
⚫ | IUPACName = 2-Nitrobenzaldehyde
| ImageName = 2-Nitroaniline
| OtherNames = Nitrobenzaldehyde, ortho-nitrobenzaldehyde, ''o''-nitrobenzaldehyde
⚫ | IUPACName = 2-nitroaniline
| OtherNames = ''ortho''-nitroaniline, ''o''-nitroaniline, 2-nitrobenzenamine
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| PubChem = 11101
⚫ | ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
| InChI = 1/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | SMILES = O=()c1ccccc1C=O
⚫ | CASNo = 88-74-4
| InChIKey = CMWKITSNTDAEDT-UHFFFAOYAD
| ChEMBL_Ref = {{ebicite|changed|EBI}}
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 274009 -->
| ChemSpiderID = 6680 | ChEMBL = 166559
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | SMILES = O=()c1ccccc1N
| InChI = 1/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2 | StdInChI = 1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = DPJCXCZTLWNFOH-UHFFFAOYAV
⚫ | StdInChIKey = CMWKITSNTDAEDT-UHFFFAOYSA-N
⚫ | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
⚫ | CASNo = 552-89-6
| StdInChI = <!-- blanked - oldvalue: 1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2 -->
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}} | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | StdInChIKey = <!-- blanked - oldvalue: DPJCXCZTLWNFOH-UHFFFAOYSA-N -->
| RTECS = | ChemSpiderID = 10630
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| Formula = C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O<sub>2</sub> | Formula = C<sub>7</sub>H<sub>5</sub>NO<sub>3</sub>
| MolarMass = 138.14 g/mol | MolarMass = 151.12 g/mol
| Appearance = Orange Solid | Appearance = Pale yellow crystalline powder
| Density = | Density =
| MeltingPtC = 43
| Solubility = 0.117 g/100 ml (20°C) (SIDS)
| pKb = | BoilingPtC = 152
| Solubility = Insoluble
}}
| Section3 = {{Chembox Structure
| CrystalStruct = ?<!-- e.g. ], ], ], ], ], ], ], and mention "close packed" or similar. You may also cite what class it belongs to, e.g. ] -->
⚫ | Dipole =
}} }}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| MainHazards = | MainHazards = Harmful, Potentially mutagenic
| RPhrases = {{R36}} {{R37}} {{R38}} {{R41}}
⚫ | FlashPt =
| RPhrases = | SPhrases = {{S26}} {{S28}}
| SPhrases = | NFPA-H = 2
⚫ | NFPA-F = 1
}}
| NFPA-R = 0
| Section8 = {{Chembox Related
⚫ | NFPA-O =
| OtherCpds = ], ]
}} }}
}} }}

Revision as of 17:29, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 473188357 of page 2-Nitrobenzaldehyde with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 2-Nitrobenzaldehyde
Other names Nitrobenzaldehyde, ortho-nitrobenzaldehyde, o-nitrobenzaldehyde
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5HKey: CMWKITSNTDAEDT-UHFFFAOYSA-N
  • InChI=1/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5HKey: CMWKITSNTDAEDT-UHFFFAOYAD
SMILES
  • O=()c1ccccc1C=O
Properties
Chemical formula C7H5NO3
Molar mass 151.12 g/mol
Appearance Pale yellow crystalline powder
Melting point 43 °C (109 °F; 316 K)
Boiling point 152 °C (306 °F; 425 K)
Solubility in water Insoluble
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Harmful, Potentially mutagenic
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 1 0
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. 2-Nitrobenzaldehyde
  2. 2-Nitrobenzaldehyde MSDS