3-Bromo-5-chlorobenzoic acid

Basic Information

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CAS Number

42860-02-6

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

195.0 to 199.0 deg-C

Boiling Point

332℃ at 760 mmHg

SMILES

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C1=C(C=C(C=C1Cl)Br)C(=O)O

InChI

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

InChIKey

PBRRUJWXRUGGAW-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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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

A6952
3-bromo-5-chloro-benzoic Acid
PBRRUJWXRUGGAW-UHFFFAOYSA-N
B4191
J-650240
AB29578
AC-28673
FT-0653805
J-511996
Z1269235666
SCHEMBL560354
3-Bromo-5-chlorobenzoic acid
5-bromo-3-chlorobenzoic acid
3-Bromo-5-ChlorobenzoicAcid
PS-7659
DTXSID10275020
42860-02-6
CS-W004992
EN300-107464
CL8073
Benzoic acid, 3-bromo-5-chloro-
AKOS015834263
MFCD06797227
SY024815
AM83072
Benzoic acid,3-bromo-5-chloro-
3-Chloro-5-Bromobenzoic acid
PubChem13461
KSC494A0L
SBB063565
VZ26464

MDL Number

MFCD06797227

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Bromo-5-chlorobenzoic acid (CAS: 42860-02-6)?

3-Bromo-5-chlorobenzoic acid is a white to off-white crystalline solid with a molecular weight of approximately 247.01 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is known for its low reactivity in aqueous solutions but shows moderate reactivity under acidic or basic conditions. It has a pKa of about 4.6 in aqueous solution.

How is 3-Bromo-5-chlorobenzoic acid (CAS: 42860-02-6) typically synthesized?

3-Bromo-5-chlorobenzoic acid can be synthesized via the bromination of 5-chlorobenzoic acid followed by purification. Commonly, this involves bromination using bromine in the presence of a base such as sodium hydroxide. The yield and selectivity can be improved using appropriate catalysts and conditions.

What industries use 3-Bromo-5-chlorobenzoic acid (CAS: 42860-02-6)?

3-Bromo-5-chlorobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of organic pigments, dyes, and as an intermediate in the manufacturing of specific chemical compounds. Additionally, it is used in research and development for analytical purposes.

What precautions should be taken when handling 3-Bromo-5-chlorobenzoic acid (CAS: 42860-02-6)?

When handling 3-Bromo-5-chlorobenzoic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the material safety data sheet (MSDS) should be consulted for detailed safety information.