Basic information
- CAS
158525-83-8- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1cccc(Cl)c1- InChIKey
YORBGBHHCAZVFQ-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO
- Average molar mass
- 310.57 g/mol
- Monoisotopic mass
- 308.9556
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-3-chlorobenzamide
- IUPAC
- N-(4-bromophenyl)-3-chlorobenzamide
- English name
- N-(4-bromophenyl)-3-chlorobenzamide
- Molecular formula
- C13H9BrClNO
- Molecular weight
- 310.57
Names & synonyms
N-(4-bromophenyl)-3-chlorobenzamide158525-83-8ZINC304497SCHEMBL2565385SCHEMBL17845891Brc1ccc(cc1)NC(=O)c1cccc(c1)ClMFCD01214029STK012933ZINC00304497AKOS000201729N(4BROMOPHENYL)3CHLOROBENZAMIDEZINC000000304497
Show more names
Benzamide, N-(4-bromophenyl)-3-chloro-
CS-0269104ST50695557N-(4-bromophenyl)(3-chlorophenyl)carboxamideN(4BROMOPHENYL)(3CHLOROPHENYL)CARBOXAMIDEAG-690/11635727C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)BrZ27786866
Database identifiers
- CAS
158525-83-8- PubChem CID
- 798972
- EC Number
- 163-600-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 333.3 · 333.3±27.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- pka
- 12.15 · 12.15±0.70(Predicted)
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Chemistry & industry
Suppliers4 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]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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