5-Bromo-2-chlorobenzoic acid

Basic Information

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CAS Number

21739-92-4

Molecular Formula

C7H4BrClO2

Molecular Weight

235.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

157.0 to 160.0 deg-C

Boiling Point

324.5°C at 760 mmHg

Water Solubility

Soluble in water 2.63 g/L @20°C.

Flash Point

150.1℃

Solubility

2.63g/l

Refractive Index

1.5590 (estimate)

SMILES

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

InChI

InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey

FGERXQWKKIVFQG-UHFFFAOYSA-N

LogP

2.800700000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

163

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-bromo-2-chorobenzoic acid
AB01331421-02
A4667
PS-7656
EN300-20497
5-Bromo-2-chlorobenzoic acid
5-Bromo-2-Chloro benzoic acid
2-Chloro-5-bromobenzoic acid
DTXSID40176132
CS-W012888
W-107525
AM62242
NCGC00338868-01
EINECS 244-558-5
F2191-0036
Benzoic acid, 5-bromo-2-chloro-
5-Bromo-2-chlorobenzoic acid, 98%
SCHEMBL18214
BCP07097
FT-0620078
B1344
NS00026955
MFCD00002415
SY001457
AKOS000119557
5-Bromo-2-chlorobenzoicacid
AC-3906
21739-92-4
InChI=1/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11
Z104478416
5-bromo-2-chloro-benzoic acid

MDL Number

MFCD00002415

Customs Code

2916399090

FAQ

What is 5-Bromo-2-chlorobenzoic acid (CAS: 21739-92-4)?

5-Bromo-2-chlorobenzoic acid is an organic compound with the chemical formula C7H5BrClO2. It is a substituted aromatic carboxylic acid, featuring bromo and chloro groups on the benzene ring. This compound is known for its stability and is commonly used in chemical synthesis due to its reactivity and versatile functional groups.

What are the main uses of 5-Bromo-2-chlorobenzoic acid (CAS: 21739-92-4)?

5-Bromo-2-chlorobenzoic acid is primarily used in pharmaceutical research for the development of drugs targeting metabolic disorders and inflammation. It also finds applications in organic synthesis, dye production, and as an intermediate in the manufacturing of various chemicals. Its unique structure makes it valuable in research and industrial processes.

Is 5-Bromo-2-chlorobenzoic acid (CAS: 21739-92-4) safe?

5-Bromo-2-chlorobenzoic acid is considered hazardous due to its potential to cause skin and eye irritation. It should be handled with proper protective equipment, such as gloves and goggles, and in a well-ventilated area. Safety standards recommend following OSHA and EPA guidelines to ensure safe usage and disposal in both laboratory and industrial settings.

How should 5-Bromo-2-chlorobenzoic acid (CAS: 21739-92-4) be stored?

5-Bromo-2-chlorobenzoic acid should be stored in a cool, dry, and dark place, preferably at temperatures below 25°C. It should be kept in a sealed container to prevent moisture absorption and contamination. Avoid exposure to light and air to maintain its stability and prolong shelf life.