3-Bromo-4-chlorobenzoic acid

Basic Information

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CAS Number

42860-10-6

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

217.0 to 223.0 deg-C

SMILES

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C1=CC(=C(C=C1C(=O)O)Br)Cl

InChI

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

InChIKey

NLEPZGNUPNMRGF-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 IRRITANT Class IRRITANT

Synonyms & References

English

3-bromo-4-chloro-benzoic Acid
CS-W019483
42860-10-6
DTXSID90370784
EN300-113763
Z1269180540
SCHEMBL112432
SY015480
Benzoic acid, 3-bromo-4-chloro-
TS-03315
AC-26005
A20172
FT-0602610
J-511915
B3308
BB 0245935
3-Bromo-4-chlorobenzoicAcid
3-Bromo-4-chlorobenzoic acid
NLEPZGNUPNMRGF-UHFFFAOYSA-N
3-Bromo-4-chlorobenzoic acid, 97%
AKOS000109281
BP-10863
MFCD00079706
AM20050556
3-Brom-4-chlorobenzoic acid
3-BROMO4-CHLOROBENZOIC AID
3-Brom-4-chlorbenzoesaeure
3-bromo-4-benzoic acid
3-bromo-4-chlorobenzoate
3-bromo-4-chloro-benzoic acid

MDL Number

MFCD00079706

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Bromo-4-chlorobenzoic acid (CAS: 42860-10-6)?

3-Bromo-4-chlorobenzoic acid is a crystalline solid with a molecular weight of approximately 229.01 g/mol. It is slightly soluble in water and ethanol. The compound is reactive towards nucleophiles, particularly in acid or base-catalyzed reactions. It is also prone to sublimation under vacuum conditions.

How is 3-Bromo-4-chlorobenzoic acid (CAS: 42860-10-6) typically synthesized?

3-Bromo-4-chlorobenzoic acid is commonly synthesized via the bromination of 4-chlorobenzoic acid followed by recrystallization. The synthesis typically uses N-bromosuccinimide (NBS) as a brominating agent in the presence of an appropriate base such as potassium carbonate. The reaction yields up to 80% of the desired product, with good selectivity.

What industries use 3-Bromo-4-chlorobenzoic acid (CAS: 42860-10-6)?

3-Bromo-4-chlorobenzoic acid is used in various industries, including pharmaceuticals for the synthesis of certain drug intermediates, and in organic synthesis for the production of functionalized benzoic acid derivatives. It also finds applications in the preparation of materials for sensors and semiconductors.

What precautions should be taken when handling 3-Bromo-4-chlorobenzoic acid (CAS: 42860-10-6)?

Proper handling of 3-Bromo-4-chlorobenzoic acid requires the use of personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a well-ventilated area, and it is recommended to use a fume hood during operations. In the event of a spill, the area should be decontaminated with an appropriate solvent, and the material safety data sheet (MSDS) should be consulted for specific guidelines.