3-(4-Bromoanilino)-1-(4-methylphenyl)-1-propanone
Basic information
- CAS
58154-00-0- Standard SMILES
Cc1ccc(C(=O)CCNc2ccc(Br)cc2)cc1- InChIKey
YOTBXRASDQGMCM-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO
- Average molar mass
- 318.21 g/mol
- Monoisotopic mass
- 317.04153
Names & identifiers
- Preferred name
- 3-(4-Bromoanilino)-1-(4-methylphenyl)-1-propanone
- IUPAC
- 3-(4-bromoanilino)-1-(4-methylphenyl)propan-1-one
- English name
- 3-(4-Bromoanilino)-1-(4-methylphenyl)-1-propanone
- Molecular formula
- C16H16BrNO
- Molecular weight
- 318.21
Names & synonyms
58154-00-03-(4-bromoanilino)-1-(4-methylphenyl)-1-propanone3-[(4-bromophenyl)amino]-1-(4-methylphenyl)propan-1-one3-(4-bromoanilino)-1-(4-methylphenyl)propan-1-oneAKOS005108912JS-2748ST51232640SALOR-INT L321621-1EA1-Propanone, 3-[(4-bromophenyl)amino]-1-(4-methylphenyl)-
Database identifiers
- CAS
58154-00-0- PubChem CID
- 3548855
- EC Number
- 132-671-1
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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