Basic information
- CAS
41614-16-8- Standard SMILES
O=C(Nc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
MPSDMWLZVDJFGW-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O3
- Average molar mass
- 276.67 g/mol
- Monoisotopic mass
- 276.0301698
Names & identifiers
- Preferred name
- 4-Chloro-3-nitrobenzanilide
- IUPAC
- 4-chloro-3-nitro-N-phenylbenzamide
- English name
- 4-Chloro-3-nitrobenzanilide
- Molecular formula
- C13H9ClN2O3
- Molecular weight
- 276.68
Names & synonyms
4-Chloro-3-nitrobenzanilide4-Chloro-3-nitro-N-phenylbenzamideBenzamide, 4-chloro-3-nitro-N-phenyl-EINECS 255-463-3NSC 50641DTXSID8068333RefChem:98443DTXCID3039957255-463-3MPSDMWLZVDJFGW-UHFFFAOYSA-N41614-16-8AMW8E5UU4B
Show more names
3-NITRO-4-CHLOROBENZANILIDEN-Phenyl-4-chloro-5-nitrobenzamide
4-Chloro-3-nitro-N-phenyl-benzamideMFCD00016988NSC-506413-nitro-4-chloro-benzanilideNSC50641UNII-AMW8E5UU4BSCHEMBL1455286SCHEMBL5390788
Database identifiers
- CAS
41614-16-8- PubChem CID
- 96073
- DTXSID
DTXSID8068333- ChEMBL
CHEMBL1967789- UNII
- AMW8E5UU4B
- EC Number
- 255-463-3
- Nikkaji
- J62.035A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 363.2 · 363.2±32.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 11.82 · 11.82±0.70(Predicted)
- FDA UNII
- 8 E5UU4B · AMW8E5UU4B
- EPA Substance Registry System
- 4 · Benzamide, 4-chloro-3-nitro-N-phenyl- (41614-16-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 4-chloro-3-nitro-N-phenyl-: INACTIVE
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
嘉兴市鑫瑞医药科技有限公司0573-82750556 13616838856 · [email protected]
Related reactions
2 records
Compound notes
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