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4-Acetylbenzoic acid

4-Acetylbenzoic acid structure

CAS No:
586-89-0
Formula:
C9H8O3
Chemical Name:
4-Acetylbenzoic acid
Synonyms:
Benzoic acid,4-acetyl-;Benzoic acid,p-acetyl-;4-Acetylbenzoic acid;p-Acetylbenzoic acid;p-Carboxyacetophenone;4-Carboxyacetophenone;4-(1-Oxoethyl)benzoic acid;NSC 16644
Categories:
Chemical Reagents > Organic Reagents

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Description

White to light yellow crystal powder

4-Acetylbenzoic acid Basic Attributes

Molecular Weight：

164.16

Exact Mass：

164.16

BRN：

2207355

EC Number：

209-588-5

NSC Number：

16644

DSSTox ID：

DTXSID30207323

HScode：

29183000

Characteristics

PSA：

54.4

XLogP3：

1.6

Appearance：

White Crystals or Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

208 °C

Boiling Point：

207 °C

Flash Point：

173.6±19.7 °C

Refractive Index：

1.561

Water Solubility：

H2O: soluble

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-37/38-36

safety instructions：

37/39-26-36-24/25

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (12.5%): 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 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-acetylbenzoic acid

Computed Properties

Molecular Weight:164.16
XLogP3:1.6
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:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Carbon dioxide

Sodium bisulfite

Sulfuric acid

PETROLEUM ETHER

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