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2-Acetylbenzoic acid

2-Acetylbenzoic acid structure

CAS No:
577-56-0
Formula:
C9H8O3
Chemical Name:
2-Acetylbenzoic acid
Synonyms:
Benzoic acid,2-acetyl-;Benzoic acid,o-acetyl-;2-Acetylbenzoic acid;o-Acetylbenzoic acid;o-Carboxyacetophenone;2′-Carboxyacetophenone;NSC 407680;o-Acetophenonecarboxylic acid;2-Acetophenonecarboxylic acid;2-(1-Oxoethyl)-1-benzoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Yellow Solid

2-Acetylbenzoic acid Basic Attributes

Molecular Weight：

164.16

Exact Mass：

164.16

BRN：

1210557

EC Number：

209-413-2

NSC Number：

407680

DSSTox ID：

DTXSID00206404

HScode：

29183000

Characteristics

PSA：

54.4

XLogP3：

0.8

Appearance：

Light yellow to light orange Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

114.5 °C

Boiling Point：

110-112 °C

Flash Point：

161.0±19.7 °C

Refractive Index：

1.561

Water Solubility：

soluble in Dichloromethane and Ethyl Acetate. Slightly soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

37/39-26-36-24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Acetylbenzoic acid Use and Manufacturing

A common component of hair dyes.

Computed Properties

Molecular Weight:164.16
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Pyridine

Benzene

Hydrochloric acid

Phthalic anhydride

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