CAS 32580-26-0 N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide (HCID 122906)

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Basic information

CAS: 32580-26-0
Standard SMILES: O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey: VYYHFSBVBDFTML-UHFFFAOYSA-N
Molecular formula: C15H11BrClNO2
Average molar mass: 352.61 g/mol
Monoisotopic mass: 350.96616837

Names & identifiers

Preferred name: N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide
IUPAC: N-(2-benzoyl-4-chlorophenyl)-2-bromoacetamide
English name: 2-BROMOACETAMIDO-5-CHLOROBENZOPHENONE
Molecular formula: C15H11BrClNO2
Molecular weight: 352.61

Names & synonyms

N-(2-Benzoyl-4-chlorophenyl)-2-bromoacetamide32580-26-0EINECS 251-107-6DTXSID40186276RefChem:161667DTXCID50108767251-107-62-(2-BROMO-ACETYLAMINO)-5-CHLORO-BENZOPHENONEMFCD001912952-(2-bromoacetamido)-5-chlorobenzophenone2-bromoacetamido-5-chlorobenzophenoneC15H11BrClNO2

Show more names

BCBN-(2-Benzoyl-4-chlorophenyl)-α-bromoacetamideAcetamide, N-(2-benzoyl-4-chlorophenyl)-2-bromo-

Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-(2-Benzoyl-4-chlorophenyl)-alpha-bromoacetamideSCHEMBL11538033SCHEMBL31048907AKOS024255701EK-0009FB191952-(2-bromoacetamido)-5-chloro-benzophenone

Database identifiers

CAS: 32580-26-0
PubChem CID: 122906
DTXSID: DTXSID40186276
EC Number: 251-107-6
Nikkaji: J136.584C

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 358

Physicochemical properties

Melting point: 124 · 124-1250C
Boiling point: 547 · 547.0±50.0 °C(Predicted)
Density: 1.561 · 1.561±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly, Heated)
form: Solid
pka: 11.06 · 11.06±0.70(Predicted)
color: White
CAS DataBase Reference: 32580 · 32580-26-0
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 273 · P273-P391-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.