N-benzyl-3-bromobenzamide
Basic information
- CAS
161258-41-9- Standard SMILES
O=C(NCc1ccccc1)c1cccc(Br)c1- InChIKey
WWABSNAGARGAQD-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO
- Average molar mass
- 290.15 g/mol
- Monoisotopic mass
- 289.01023
Names & identifiers
- Preferred name
- N-benzyl-3-bromobenzamide
- IUPAC
- N-benzyl-3-bromobenzamide
- English name
- N-Benzyl 3-bromobenzamide
- Molecular formula
- C14H12BrNO
- Molecular weight
- 290.16
Names & synonyms
N-benzyl-3-bromobenzamide161258-41-9DTXSID60354955RefChem:363306DTXCID60306015N-Benzyl 3-bromobenzamideMFCD00554085N-Benzyl-3-bromo-benzamideCambridge id 5190273CBDivE_013030SCHEMBL10389701SCHEMBL29032782
Show more names
3-Bromo-N-(phenylmethyl)benzamide
STK159801AKOS000184706Benzamide, 3-bromo-N-(phenylmethyl)-BS-21623CS-0206724F70002AB00075062-01Z27749576
Database identifiers
- CAS
161258-41-9- PubChem CID
- 787882
- DTXSID
DTXSID60354955
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 437.5 · 437.5±38.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.72 · 14.72±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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