Basic information
- CAS
4771-08-8- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1- InChIKey
WLUMOMGZPNOSOG-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- Benzamide, N-(3-nitrophenyl)-
- IUPAC
- N-(3-nitrophenyl)benzamide
- English name
- N-(m-Nitrophenyl)benzamide
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
N-(3-Nitrophenyl)benzamide3'-Nitrobenzanilide4771-08-8N-(m-Nitrophenyl)benzamideBenzamide, N-(3-nitrophenyl)-m'-NitrobenzanilideBenzanilide, 3'-nitro-BRN 1979953EINECS 225-312-6AI3-30846DTXSID50521214-12-00-01597 (Beilstein Handbook Reference)
Show more names
TIMTEC-BB SBB0062273’-nitro-benzanilidn-(3-nitrophenyl)-benzamid1-Nitro-3-(benzoylamino)benzene
RefChem:561540DTXCID7030690225-312-6MFCD000435373''-NitrobenzanilideM-NITROBENZANILIDEMaybridge1_008794N-Benzoyl-3-nitroaniline
Database identifiers
- CAS
4771-08-8- PubChem CID
- 78503
- DTXSID
DTXSID5052121- ChEMBL
CHEMBL1555432- UNII
- 9MH4T388YQ
- EC Number
- 225-312-6
- Nikkaji
- J62.900F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility9.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 309.8 · 309.8±25.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 MH4T388YQ · 9MH4T388YQ
- EPA Substance Registry System
- Benzamide, N-(3-nitrophenyl)- (4771-08-8)
- TSCA
- TSCA listed
- Toxicity
- 50 oral · LD50 oral in rat: > 500mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 oral in rat: > 500mg/kg
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N-(3-nitrophenyl)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers14 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
湖州澄博生物科技有限公司13626726938
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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