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2-Fluorobenzoic acid

2-Fluorobenzoic acid structure

CAS No:
445-29-4
Formula:
C7H5FO2
Chemical Name:
2-Fluorobenzoic acid
Synonyms:
Benzoic acid,2-fluoro-;Benzoic acid,o-fluoro-;2-Fluorobenzoic acid;o-Fluorobenzoic acid;NSC 10319
Categories:
Organic Chemistry > Organic Fluorine Compound

Description

white to light yellow crystal powder

2-fluorobenzoic acid is a 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2. It is a fluorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-fluorobenzoate.

2-Fluorobenzoic acid Basic Attributes

Molecular Weight：

140.11

Exact Mass：

140.11

BRN：

971265

EC Number：

207-158-1

UNII：

64UZ32KOO4

NSC Number：

10319

DSSTox ID：

DTXSID1060001

HScode：

29163900

Characteristics

PSA：

37.3

XLogP3：

1.8

Appearance：

White to light yellow Crystalline Powder or Needles

Density：

1.3±0.1 g/cm3

Melting Point：

126.5 °C

Boiling Point：

114 °C

Flash Point：

101.8±19.8 °C

Refractive Index：

1.537

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.016mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

37/38-36/37/38

safety instructions：

22-26-28-24/25-37/39-36

RTECS Number：

DH0250000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

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

Precautionary statement(s)：

P261

Hazard Statements：

H315-H335

Drug Information

MeSH Entry Terms：

2-fluorobenzoate

2-Fluorobenzoic acid Use and Manufacturing

Methods of Manufacturing

The preparation method is based on 2-aminobenzoic acid as the raw material, adding anhydrous hydrogen fluoride and sodium nitrite to the methoxyethyl methyl ether solvent for diazotization, refluxing for 3 hours, and performing post-treatment to obtain the finished product. 2-fluorobenzoic acid is colorless crystal, mP123～125℃, soluble in benzene, ketone, ether and other organic solvents. When 2-fluorobenzoic acid is reacted with an acid chlorinating agent such as SOCl2, PCl3, etc., the corresponding 2-fluorobenzoyl fluoride can be obtained. 2-Fluorobenzoyl chloride is also an intermediate of the fungicide powdery alcohol, the structural formula is shown in the figure:

Uses

Meclofenamic Acid intermediate. 2-Fluorobenzoic acid is an intermediate of the fungicide flutriazole. Used as an intermediate for medicines, pigments and dyes

Manufacturing Info：

Benzoic acid, 2-fluoro-: ACTIVE

Computed Properties

Molecular Weight:140.11
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.02735756
Monoisotopic Mass:140.02735756
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

2-Fluorobenzoyl chloride

Methanol

1-Butanol

Hydrofluoric acid

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