3-(3-bromophenyl)-N-(3-iodophenyl)acrylamide
Basic information
- CAS
882079-32-5- Standard SMILES
O=C(/C=C/c1cccc(Br)c1)Nc1cccc(I)c1- InChIKey
WAFLTSFCIIEOIC-UHFFFAOYSA-N- Molecular formula
- C15H11BrINO
- Average molar mass
- 428.06 g/mol
- Monoisotopic mass
- 426.90687
Names & identifiers
- Preferred name
- 3-(3-bromophenyl)-N-(3-iodophenyl)acrylamide
- IUPAC
- (E)-3-(3-bromophenyl)-N-(3-iodophenyl)prop-2-enamide
- English name
- 3-(3-Bromophenyl)-N-(3-iodophenyl)acrylamide
- Molecular formula
- C15H11BrINO
- Molecular weight
- 428.06
Names & synonyms
882079-32-5(2E)-3-(3-bromophenyl)-N-(3-iodophenyl)prop-2-enamide3-(3-bromophenyl)-N-(3-iodophenyl)acrylamide(E)-3-(3-bromophenyl)-N-(3-iodophenyl)prop-2-enamideAKOS005106193JS-2008(2E)-3-(3-bromophenyl)-N-(3-iodophenyl)-2-propenamideSALOR-INT L130249-1EA2-Propenamide, 3-(3-bromophenyl)-N-(3-iodophenyl)-
Database identifiers
- CAS
882079-32-5- PubChem CID
- 6020191
- EC Number
- 121-693-7
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
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 537.5 · 537.5±50.0 °C(Predicted)
- Density
- 1.864 · 1.864±0.06 g/cm3(Predicted)
- pka
- 13.24 · 13.24±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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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