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2′-Chloroacetophenone

2′-Chloroacetophenone structure

CAS No:
2142-68-9
Formula:
C8H7ClO
Chemical Name:
2′-Chloroacetophenone
Synonyms:
Ethanone,1-(2-chlorophenyl)-;Acetophenone,2′-chloro-;1-(2-Chlorophenyl)ethanone;o-Chloroacetophenone;2′-Chloroacetophenone;o-Chlorophenyl methyl ketone;Methyl 2-chlorophenyl ketone;2-Chlorophenyl methyl ketone;NSC 405474;2-Acetylphenyl chloride;2-Chloro-1-acetylbenzene;1-(2-Chlorophenyl)ethan-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear light yellow to amber liquid

2′-Chloroacetophenone Basic Attributes

Molecular Weight：

154.593

Exact Mass：

154.59

EC Number：

218-397-6

NSC Number：

405474

DSSTox ID：

DTXSID1062201

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.1

Appearance：

Clear amber liquid.

Density：

1.1884 g/cm³ @ Temp: 25 °C

Melting Point：

25-28 °C @ Solvent: Ethanol

Boiling Point：

227-278 °C @ Press: 788 Torr

Flash Point：

89.6±11.0 °C

Refractive Index：

1.532

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.418mmHg at 25°C

Toxicity：

LD50 orally in Rabbit: 1820 mg/kg

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3416 6.1/PG 2

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

S26-S36-S37/39-S45-S36/37/39-S28A

RTECS Number：

AM6310000

Marks：

Xn:Harmful

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H319-H335

GHS Classification：

|Warning|H302 (93.67%): 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|Aggregated GHS information provided by 79 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2′-Chloroacetophenone Use and Manufacturing

Manufacturing Info：

Ethanone, 1-(2-chlorophenyl)-: INACTIVE

Computed Properties

Molecular Weight:154.59
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.0185425
Monoisotopic Mass:154.0185425
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Chlorobenzene

2-Chlorobenzoyl chloride

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