5-Bromo-2-fluorobenzoic acid

Basic Information

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CAS Number

146328-85-0

Molecular Formula

C7H4BrFO2

Molecular Weight

219.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

147.0 to 153.0 deg-C

Water Solubility

Slightly soluble in water.

SMILES

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C1=CC(=C(C=C1Br)C(=O)O)F

InChI

InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey

PEXAZYDITWXYNJ-UHFFFAOYSA-N

LogP

2.2864000000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

Safety Information

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GHS Hazard Pictograms

H301

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NS00124318
FT-0643391
Z104510340
SY010172
AM20061079
B2974
SCHEMBL2554
2-fluoro-5-bromobenzoic acid
AB03871
EN300-15128
5-Bromo-2-fluorobenzoic acid
PS-7897
MFCD00143423
5-Bromo-2-Fluoro Benzoic Acid
146328-85-0
AKOS001309986
5-bromo-2-fluoro-benzoic Acid
J-008209
Benzoic acid, 5-bromo-2-fluoro-
5-Bromo-2-fluorobenzoic acid, 97%
AC-3912
CS-W008695
3-bromo-6-fluorobenzoic acid
PEXAZYDITWXYNJ-UHFFFAOYSA-N
DTXSID20371269
SB33710
RARECHEM AL BO 0757
2-FLUORO-5-BROMOBENZOIC ACID
BUTTPARK 19\01-67
5-Bromo-2-Fluorobenzoic Acid 2-Fluoro-5-Bromobenzoic Acid
5-Bromo-2-fluorobenzoic

MDL Number

MFCD00143423

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 5-Bromo-2-fluorobenzoic acid (CAS: 146328-85-0)?

5-Bromo-2-fluorobenzoic acid is a crystalline solid with a molecular weight of approximately 222.03 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetonitrile. This compound is relatively stable but can exhibit reactivity under certain conditions, particularly in acidic media. Its chemical properties include its ability to form salts and esters, and it is used in organic synthesis as a building block for various derivatives.

How is 5-Bromo-2-fluorobenzoic acid (CAS: 146328-85-0) typically synthesized?

5-Bromo-2-fluorobenzoic acid is typically synthesized by the bromination of 2-fluorobenzoic acid using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction involves the addition of bromine to the acid molecule. This method provides good yields and selectivity, making it a common approach in the laboratory for producing this compound.

What industries use 5-Bromo-2-fluorobenzoic acid (CAS: 146328-85-0)?

5-Bromo-2-fluorobenzoic acid is used in various industries. It finds applications in the pharmaceutical sector for the synthesis of drug intermediates, in organic chemistry for the preparation of functionalized aromatic compounds, and in polymer science for the development of new materials. It is also utilized in the electronics industry for the production of semiconductor materials and in analytical chemistry for sensor applications.

What precautions should be taken when handling 5-Bromo-2-fluorobenzoic acid (CAS: 146328-85-0)?

When handling 5-Bromo-2-fluorobenzoic acid, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be handled carefully using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed spill and handling procedures. Ensure good laboratory practices and proper disposal methods are followed to avoid environmental contamination.