4-bromo-N-(2-iodophenyl)benzamide
Basic information
- CAS
346689-26-7- Standard SMILES
O=C(Nc1ccccc1I)c1ccc(Br)cc1- InChIKey
LTCNIKPGJHVOBG-UHFFFAOYSA-N- Molecular formula
- C13H9BrINO
- Average molar mass
- 402.02 g/mol
- Monoisotopic mass
- 400.89122
Names & identifiers
- Preferred name
- 4-bromo-N-(2-iodophenyl)benzamide
- IUPAC
- 4-bromo-N-(2-iodophenyl)benzamide
- English name
- 4-bromo-N-(2-iodophenyl)benzamide
- Molecular formula
- C13H9BrINO
- Molecular weight
- 402.03
Names & synonyms
4-bromo-N-(2-iodophenyl)benzamide346689-26-7ZINC631048ZINC00631048starbld0036917Brc1ccc(cc1)C(=O)Nc1ccccc1I4BROMON(2IODOPHENYL)BENZAMIDEMFCD00629547STK025249AKOS000491427ZINC000000631048(4-bromophenyl)-N-(2-iodophenyl)carboxamide
Show more names
Benzamide, 4-bromo-N-(2-iodophenyl)-
ST450383454-BROMO-N-(2-IODO-PHENYL)-BENZAMIDE(4BROMOPHENYL)N(2IODOPHENYL)CARBOXAMIDEAB00081841-01SR-01000206039C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Br)ISR-01000206039-1Z28163857
Database identifiers
- CAS
346689-26-7- PubChem CID
- 984592
- EC Number
- 163-625-9
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 266
Physicochemical properties
- Boiling point
- 361 · 361.0±27.0 °C(Predicted)
- Density
- 1.946 · 1.946±0.06 g/cm3(Predicted)
- pka
- 12.36 · 12.36±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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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