N-(4-bromophenyl)-4-tert-butylbenzamide
Basic information
- CAS
324577-43-7- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1- InChIKey
MYQHGSXRFSPVTQ-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.05718
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-4-tert-butylbenzamide
- IUPAC
- N-(4-bromophenyl)-4-tert-butylbenzamide
- English name
- N-(4-bromophenyl)-4-tert-butylbenzamide
- Molecular formula
- C17H18BrNO
- Molecular weight
- 332.23
Names & synonyms
N-(4-bromophenyl)-4-tert-butylbenzamideSCHEMBL7296335STK862115AKOS001311662324577-43-7ST012701AN-652/13521243SR-01000409293N-(4-Bromophenyl)-4-(1,1-dimethylethyl)benzamideSR-01000409293-1[4-(tert-butyl)phenyl]-N-(4-bromophenyl)carboxamideZ27786857
Show more names
Benzamide, N-(4-bromophenyl)-4-(1,1-dimethylethyl)-
Database identifiers
- CAS
324577-43-7- PubChem CID
- 709708
- EC Number
- 140-785-8
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 353.7 · 353.7±35.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 12.92 · 12.92±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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
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Compound notes
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