CAS 621-38-5 N-(3-Bromophenyl)acetamide (HCID 12123)

Substructure search Find similar structures

Basic information

CAS: 621-38-5
Standard SMILES: CC(=O)Nc1cccc(Br)c1
InChIKey: XXHOHJTVFUJJMT-UHFFFAOYSA-N
Molecular formula: C8H8BrNO
Average molar mass: 214.06 g/mol
Monoisotopic mass: 212.97892598

Names & identifiers

Preferred name: N-(3-Bromophenyl)acetamide
IUPAC: N-(3-bromophenyl)acetamide
English name: 3'-Bromoacetanilide
Molecular formula: C8H8BrNO
Molecular weight: 214.06

Names & synonyms

N-(3-bromophenyl)acetamideRefChem:826258962-073-33-BROMOACETANILIDE621-38-53'-BromoacetanilideAcetamide, N-(3-bromophenyl)-Acetanilide, 3'-bromo-m-BromoacetanilideMFCD00461391BRN 20867843,4'-bromoacetanilide

Show more names

3’-bromo-acetanilidCHEMBRDG-BB 54756033’-Bromoacetanilide3'-Bromoacetoaniliden-(3-bromophenyl)-acetamidN-(3-bromophenyl)ethanamide

NSC408071Acetamide, N-(3-bromophenyl)- (9CI)4-12-00-01494 (Beilstein Handbook Reference)SCHEMBL264735N-(3-Bromo-phenyl)-acetamideSCHEMBL2085653SCHEMBL5782169DTXSID50211149

Database identifiers

CAS: 621-38-5
PubChem CID: 12123
DTXSID: DTXSID50211149
EC Number: 962-073-3
Nikkaji: J94.955H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

LogP2.04

Physicochemical properties

Melting point: 87 · 87-89 °C
Boiling point: 349.2 · 349.2±25.0 °C(Predicted)
Density: 1.5097 · 1.5097 (rough estimate)
refractive index: 1.612 · 1.6120 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 14.45 · 14.45±0.70(Predicted)
Appearance: Yellow to brown Solid
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.