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165120-40-1

Basic Information
CAS No.: 165120-40-1
Name: 2-Bromo-4'-chloroacetophenone
Article Data: 3
Molecular Structure:
Molecular Structure of 165120-40-1 (2-Bromo-4'-chloroacetophenone)
Formula: C8H6BrClO
Molecular Weight: 249.743
Synonyms: 3-Amino-4-butylamino-2-chloroquinoline;N'-Butyl-2-chloroquinoline-3,4-diamine;
EINECS: 208-631-5
Density: 1.598 g/cm3
Melting Point: 95-99℃
Boiling Point: 289.733 °C at 760 mmHg
Flash Point: 129.026 °C
Hazard Symbols: R22:; R34:;
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 17.07000
LogP: 2.91760
Synthetic route

4-Butylamino-2-chloro-3-nitroquinoline

165120-40-1

N4-butyl-2-chloro-quinoline-3,4-diamine

Conditions
ConditionsYield
platinum In toluene
With hydrogen; 5% platinum on carbon In toluene under 1965.21 Torr;
165120-40-1

N4-butyl-2-chloro-quinoline-3,4-diamine

14077-58-8

ethoxyacetyl chloride

165120-43-4

N-(4-butylamino-2-chloro-3-quinolinyl)ethoxyacetamide

165120-40-1

N4-butyl-2-chloro-quinoline-3,4-diamine

4244-59-1

methoxypropionyl chloride

N-(4-butylamino-2-chloro-3-quinolinyl)-3-methoxypropanamide

165120-40-1

N4-butyl-2-chloro-quinoline-3,4-diamine

701-99-5

Phenoxyacetyl chloride

874328-95-7

1-butyl-2-(phenoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine

Conditions
ConditionsYield
Stage #1: N4-butyl-2-chloro-quinoline-3,4-diamine; Phenoxyacetyl chloride In acetonitrile at 5 - 20℃; for 3h;
Stage #2: With ammonia In methanol at 160℃; for 18h;
165120-40-1

N4-butyl-2-chloro-quinoline-3,4-diamine

14077-58-8

ethoxyacetyl chloride

N-(4-butylamino-2-chloro-3-quinolinyl)ethoxyacetamide

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Chemistry

Molecular Structure of 2-Bromo-1-(4-chlorophenyl)ethanone (CAS NO.165120-40-1):

Empirical Formula: C8H6BrClO
Molecular Weight: 233.4896
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07Å2
Index of Refraction: 1.584
Molar Refractivity: 48.9 cm3
Molar Volume: 146 cm3
Surface Tension: 45.9 dyne/cm
Density: 1.598 g/cm3
Flash Point: 129 °C
Enthalpy of Vaporization: 52.91 kJ/mol
Boiling Point: 289.7 °C at 760 mmHg
Vapour Pressure: 0.00216 mmHg at 25°C
SMILES: O=C(c1ccc(Cl)cc1)CBr
InChI: InChI=1/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Specification

  2-Bromo-1-(4-chlorophenyl)ethanone , with CAS number of 165120-40-1, can be called .alpha.-Bromo-4'-chloroacetophenone ; .alpha.-Bromo-p-chloroacetophenone ; .alpha.-Bromo-4-chloroacetophenone ; Ethanone, 2-bromo-1- (4-chlorophenyl)- .