3-Bromo-2-fluorobenzoic acid

Basic Information

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CAS Number

161957-56-8

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

168.0 to 172.0 deg-C

Boiling Point

298.2°C at 760 mmHg

Density

1.789 g/cm3

Flash Point

134.1 °C

Refractive Index

1.438

SMILES

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

InChI

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

InChIKey

UVKURTLVTLRSSM-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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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-2-fluorobenzoic acid
2-fluoro-3-bromobenzoic acid
PB18506
UVKURTLVTLRSSM-UHFFFAOYSA-N
3-Bromo-2-fluorobenzoicacid
CS-W007859
AKOS005255059
EN300-78490
161957-56-8
SCHEMBL146386
3-bromo-2-fluoro-benzoic Acid
BENZOIC ACID, 3-BROMO-2-FLUORO-
J-511862
B3929
PS-7892
J-508220
3-bromo-2-fluoro benzoic acid
AM20060334
MFCD00665763
AC-2809
BCP06895
CL8068
SY002982
DTXSID00371267
3-Bromo-2-fluorobenzenecarboxylic acid
FT-0601249
BUTTPARK 14\01-30
3-Bromo-2-fluorobenzoic
2-FLUORO-3-BROMOBENZOIC ACID
3-Bromo-2-fluoro-benzoic acid
Benzoic acid, 3-bromo-2-fluoro-

MDL Number

MFCD00665763

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8)?

3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and is subject to FDA and EPA requirements in the United States. Users must comply with local, state, and federal regulations for handling, storage, and disposal to ensure safety and environmental protection.

Are there alternatives to 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8) in synthesis?

Several alternatives to 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8) exist in synthesis, such as 3-Chloro-2-fluorobenzoic acid and 3-Iodo-2-fluorobenzoic acid, which can be used depending on the specific reaction conditions and desired product. Common alternative reagents include bromine and fluoride salts for functional group transformations.

What is the market or research trend for 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8)?

The market for 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8) remains steady, with ongoing research focusing on its application in pharmaceuticals and agrochemicals. Recent trends indicate growing interest in its use as a precursor in the synthesis of complex organic molecules, driven by increasing demand in the pharmaceutical industry.

How should waste containing 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8) be handled?

Waste containing 3-Bromo-2-fluorobenzoic acid (CAS: 161957-56-8) should be collected in appropriate containers and stored in a well-ventilated area, avoiding contact with incompatible materials. For disposal, the waste should be neutralized and then incinerated or professionally disposed of in compliance with local regulations to prevent environmental contamination.