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Home > Encyclopedia > 1-(2-Chlorophenyl)acetone

1-(2-Chlorophenyl)acetone

1-(2-Chlorophenyl)acetone structure

1-(2-Chlorophenyl)acetone 

structure
  • CAS No:

    6305-95-9

  • Formula:

    C9H9ClO

  • Chemical Name:

    1-(2-Chlorophenyl)acetone

  • Synonyms:

    2-CHLOROPHENYLACETONE;(O-CHLOROPHENYL)ACETONE;1-(2-CHLOROPHENYL)ACETONE;2-Chlorophenylacetone,97%;1-(2-Chlorophenyl)-2-propanone;1-(2-CHLOROPHENYL)PROPAN-2-ONE;2-Propanone,1-(2-chlorophenyl)-;(2-Chlorophenyl)acetone, 1-(2-Chlorophenyl)-2-oxopropane

Description

clear slightly yellow liquid

1-(2-Chlorophenyl)acetone Basic Attributes

168.62

168.03400

22986

DTXSID70281768

2914700090

Characteristics

17.1

2.2

1.14g/cm3

236.5°C at 760 mmHg

102-103°C/3mm

1.534-1.536

Difficult to mix in water.

Safety Information

22-52

S24/25

Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-(2-Chlorophenyl)acetone Use and Manufacturing

PREPARATION 10 1-(2-Chlorophenyl)-2-propanone Following a procedure similar to that described in Preparation 9, except that equivalent amounts of 2-chlorobenzaldehyde and nitroethane were used in place of the 2-fluorobenzaldehyde and nitropropane, the title compound was obtained as a brown oil in a yield of 27%. Nuclear Magnetic Resonance Spectrum (CDCl3) delta ppm: 2.20 (3H, singlet); 3.85 (2H, singlet); 7.15-7.45 (4H, multiplet). Mass spectrum (CI, m/z): 169 (M+ +1), 125.Accordingly, the following are obtained as preferred products I of the novel process: 1-phenylpropan-2-one, 1-(4-fluorophenyl)-propan-2-one, 1-(2-chlorophenyl)-propan-2-one, 1-(4-methylphenyl)-propan-2-one, 1-(4-methoxyphenyl)-propan-2-one, 1-(3, 4-methylenedioxyphenyl)-propan-2-one, 1-(3-methoxy-4-hydroxy)-propan-2-one.

Computed Properties

Molecular Weight:168.62
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:168.0341926
Monoisotopic Mass:168.0341926
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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