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3'-Chloroacetophenone

3'-Chloroacetophenone structure

CAS No:
99-02-5
Formula:
C8H7ClO
Chemical Name:
3'-Chloroacetophenone
Synonyms:
M-CHLOROACETOPHENONE;1-(3-CHLOROPHENYL)ETHANONE;1-(3-chlorophenyl)-ethanon;3'-Chloroacetylphenone;Ethanone, 1-(3-chlorophenyl)-;3'-Chloroacetophenone 1-(3-Chlorophenyl)ethanone 3-Chloroacetophenone;3-Chloroacetophenone, 98+%;1-Acetyl-3-chlorobenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear colourless to yellow liquid

3’-Chloroacetophenone is usd in the synthesis of GABA-AT inhibitors. Also used in the synthesis of antimycobacterial studies.

A potent eye, throat, and skin irritant. One of its uses is as a riot control agent.

The activity of strain,Saccharomyces cerevisiaeB5, on the reduction of 3′-chloroacetophenone was studied.

3'-Chloroacetophenone Basic Attributes

Molecular Weight：

154.59

Exact Mass：

154.59

BRN：

636318

EC Number：

202-721-8

TSCA：

TSCA listed

DSSTox ID：

DTXSID8059182

Color/Form：

Clear colorless to yellow

HScode：

29147090

Characteristics

PSA：

17.1

XLogP3：

2.51

Appearance：

Clear, colorless liquid.

Density：

1.191 g/mL at 25 °C(lit.)

Boiling Point：

227-229 °C(lit.)

Flash Point：

106.3±13.7 °C

Refractive Index：

n20/D1.550(lit.)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3416 6.1/PG 2

wgk germany：

hazard class code：

Xi,Xn

safety instructions：

26-36-37/39-36/37/39-13-7/9

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38-36-20/21/22

RIDADR：

UN 3416 6.1/PG 2

GHS Classification：

|Warning|H302 (16%): 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 50 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants. (See all compounds classified as Irritants.)|Gases that irritate the eyes, throat, or skin. Severe lacrimation develops upon irritation of the eyes. (See all compounds classified as Tear Gases.)

MeSH Entry Terms：

2 Chloro 1 phenylethanone

3'-Chloroacetophenone Use and Manufacturing

Uses

3'-Chloroacetophenone can be used as a raw material for pharmaceutical synthesis, mainly for the synthesis of carbamazepine, a drug for the treatment of epilepsy, and as an intermediate for fine chemicals, pesticides, etc.

3’-Chloroacetophenone is usd in the synthesis of GABA-AT inhibitors. Also used in the synthesis of antimycobacterial studies.

Manufacturing Info：

Ethanone, 1-(3-chlorophenyl)-: ACTIVE

Computed Properties

Molecular Weight:154.59
XLogP3:2.5
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

Synthesis Route

120121-01-9

Recommended Suppliers of 3'-Chloroacetophenone

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3'-Chloroacetophenone

CAS No.: 99-02-5

Grade: industrial Grade

Content: 98%

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CN
5 YRS

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3-Chloroacetophenone

CAS No.: 99-02-5

Content: 99.00%

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