CAS 5445-25-0 Ethyl 2-bromo-2-(4-chlorophenyl)acetate (HCID 228840)

Substructure search Find similar structures

Basic information

CAS: 5445-25-0
Standard SMILES: CCOC(=O)C(Br)c1ccc(Cl)cc1
InChIKey: CZAZDSRFJOHLCK-UHFFFAOYSA-N
Molecular formula: C10H10BrClO2
Average molar mass: 277.54 g/mol
Monoisotopic mass: 275.95527

Names & identifiers

Preferred name: Ethyl 2-bromo-2-(4-chlorophenyl)acetate
IUPAC: ethyl 2-bromo-2-(4-chlorophenyl)acetate
English name: NSC21985
Molecular formula: C10H10BrClO2
Molecular weight: 277.5422

Names & synonyms

ethyl 2-bromo-2-(4-chlorophenyl)acetate5445-25-0Ethyl a-bromo-4-chlorophenylacetateNSC21985MFCD20487665ethyl bromo(4-chlorophenyl)acetateethyl alpha-bromo-4-chlorophenylacetateSCHEMBL5321055Benzeneacetic acid, alpha-bromo-4-chloro-, ethyl esterCZAZDSRFJOHLCK-UHFFFAOYSA-NEthyla-bromo-4-chlorophenylacetateNSC-21985

Show more names

Ethyl α-Bromo-4-chlorophenylacetateEthyl 2-bromo-4-chlorophenylacetateBenzeneacetic acid, α-bromo-4-chloro-, ethyl esterBenzeneacetic acid, .alpha.-broMo-4-chloro-, ethyl ester

AKOS022792945ethyl2-bromo-2-(4-chlorophenyl)acetateethyl alphabromo-(4-chlorophenyl)acetateDA-34335DS-19589ethyl alpha-bromo-(4-chlorophenyl)acetateSY278716CS-0059943

Database identifiers

CAS: 5445-25-0
PubChem CID: 228840

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 158 · 158-163 °C(Press: 13 Torr)
Density: 1.54 g/cm3 · 1.5400 g/cm3
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 301 · P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501