Basic information
- CAS
329939-21-1- Standard SMILES
Cc1cc(NC(=O)c2ccccc2)ccc1Br- InChIKey
XTYJILZSTCWCEE-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO
- Average molar mass
- 290.15 g/mol
- Monoisotopic mass
- 289.01023
Names & identifiers
- Preferred name
- N-(4-bromo-3-methylphenyl)benzamide
- IUPAC
- N-(4-bromo-3-methylphenyl)benzamide
- English name
- N-(4-bromo-3-methylphenyl)benzamide
- Molecular formula
- C14H12BrNO
- Molecular weight
- 290.16
Names & synonyms
N-(4-bromo-3-methylphenyl)benzamideSCHEMBL28729250SCHEMBL29434835STK049505AKOS000182394329939-21-1ST010698Benzamide, N-(4-bromo-3-methylphenyl)-
Database identifiers
- CAS
329939-21-1- PubChem CID
- 710685
- EC Number
- 169-377-8
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 263
Physicochemical properties
- Boiling point
- 308.6 · 308.6±35.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 12 · 12+-.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
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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