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Ethyl 4-fluorobenzoate

Ethyl 4-fluorobenzoate structure

CAS No:
451-46-7
Formula:
C9H9FO2
Chemical Name:
Ethyl 4-fluorobenzoate
Synonyms:
Benzoic acid,4-fluoro-,ethyl ester;Benzoic acid,p-fluoro-,ethyl ester;Ethyl p-fluorobenzoate;Ethyl 4-fluorobenzoate;4-Fluorobenzoic acid ethyl ester;4-Carbethoxyphenyl fluoride;NSC 190692
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Colorless to pale yellow low melting solid

Ethyl 4-fluorobenzoate Basic Attributes

Molecular Weight：

168.16

Exact Mass：

168.16

BRN：

1866794

EC Number：

207-194-8

NSC Number：

190692

DSSTox ID：

DTXSID6060006

HScode：

29163900

Characteristics

PSA：

26.3

XLogP3：

2.9

Appearance：

Colorless to pale yellow Low Melting Solid

Density：

1.1±0.1 g/cm3

Melting Point：

26 °C

Boiling Point：

210 °C

Flash Point：

178 °F

Refractive Index：

1.488

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.191mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25-25-24

Marks：

F,Xi

Hazard note：

Flammable

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

Ethyl 4-fluorobenzoate Use and Manufacturing

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Manufacturing Info：

Benzoic acid, 4-fluoro-, ethyl ester: INACTIVE

Computed Properties

Molecular Weight:168.16
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.05865769
Monoisotopic Mass:168.05865769
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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