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4-Phenoxybenzoic acid

4-Phenoxybenzoic acid structure

CAS No:
2215-77-2
Formula:
C13H10O3
Chemical Name:
4-Phenoxybenzoic acid
Synonyms:
Benzoic acid,4-phenoxy-;Benzoic acid,p-phenoxy-;4-Phenoxybenzoic acid;p-Phenoxybenzoic acid;NSC 246039
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to slightly yellow crystalline powder

4-phenoxybenzoic acid is a phenoxybenzoic acid in which the phenoxy group is para to the carboxy group.

4-Phenoxybenzoic acid Basic Attributes

Molecular Weight：

214.22

Exact Mass：

214.22

EC Number：

218-682-5

UNII：

K7YP1JL5BZ

NSC Number：

246039

DSSTox ID：

DTXSID6062258

HScode：

2918990090

Characteristics

PSA：

46.5

XLogP3：

3.9

Density：

1.2±0.1 g/cm3

Melting Point：

159 °C

Boiling Point：

198-205 °C @ Press: 18 Torr

Flash Point：

141.7±16.7 °C

Refractive Index：

1.608

Toxicity：

TDLo ivn-rat: 10,711 mg/kg BIPBU* 25,686,2002

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39-S36/37/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-carboxy biphenylether

4-Phenoxybenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 4-phenoxy-: ACTIVE

Computed Properties

Molecular Weight:214.22
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.062994177
Monoisotopic Mass:214.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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