Basic information
- CAS
304664-11-7- Standard SMILES
O=C(NCCc1ccccc1)c1ccccc1Br- InChIKey
PTSZJZZJBOXAFH-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO
- Average molar mass
- 304.18 g/mol
Names & identifiers
- Preferred name
- 2-bromo-N-(2-phenylethyl)benzamide
- IUPAC
- 2-bromo-N-(2-phenylethyl)benzamide
- English name
- 2-bromo-N-(2-phenylethyl)benzamide
- Molecular formula
- C15H14BrNO
- Molecular weight
- 304.18
Names & synonyms
2-bromo-N-(2-phenylethyl)benzamide304664-11-7CBDivE_015553Cambridge id 5333505Oprea1_644050N-Phenylethyl-2-bromobenzamideSCHEMBL1974245PTSZJZZJBOXAFH-UHFFFAOYSA-NSTK120987AKOS000191958ST006082(2-bromophenyl)-N-(2-phenylethyl)carboxamide
Show more names
2-BROMO-N-PHENETHYL-BENZAMIDEBenzamide, 2-bromo-N-(2-phenylethyl)-
AB00081149-01SR-01000205276SR-01000205276-1
Database identifiers
- CAS
304664-11-7- PubChem CID
- 673840
- EC Number
- 152-204-5
- Nikkaji
- J2.499.107E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 449.8 · 449.8±38.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.46(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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute 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 Acute 1 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
6 records
Compound notes
Loading…