Basic information
- CAS
303991-99-3- Standard SMILES
Cc1cc(C)cc(NC(=O)c2ccccc2Br)c1- InChIKey
REZBLWBOJJELNP-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO
- Average molar mass
- 304.18 g/mol
- Monoisotopic mass
- 303.02588
Names & identifiers
- Preferred name
- 2-bromo-N-(3,5-dimethylphenyl)benzamide
- IUPAC
- 2-bromo-N-(3,5-dimethylphenyl)benzamide
- English name
- 2-bromo-N-(3,5-dimethylphenyl)benzamide
- Molecular formula
- C15H14BrNO
- Molecular weight
- 304.18
Names & synonyms
2-bromo-N-(3,5-dimethylphenyl)benzamide5351-02-0Cambridge id 5351020Oprea1_519123DTXSID30968245STK046595AKOS000193155303991-99-3ST010617AB00082233-01N-(3,5-dimethylphenyl)(2-bromophenyl)carboxamideSR-01000405030
Show more names
Benzamide, 2-bromo-N-(3,5-dimethylphenyl)-
SR-01000405030-12-Bromo-N-(3,5-dimethylphenyl)benzene-1-carboximidic acid
Database identifiers
- CAS
303991-99-3、5351-02-0- PubChem CID
- 710587
- DTXSID
DTXSID30968245- EC Number
- 169-404-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 335.9 · 335.9±42.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 12.76 · 12.76±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
Suppliers1 total
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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