2-Bromo-5-methoxybenzoic acid

Basic Information

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CAS Number

22921-68-2

Molecular Formula

C8H7BrO3

Molecular Weight

231.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

159.0 to 163.0 deg-C

Boiling Point

337.8℃ at 760 mmHg

Flash Point

158.1℃

SMILES

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COC1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

ODHJOROUCITYNF-UHFFFAOYSA-N

LogP

2.1559

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

172

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

Synonyms & References

English

B3846
F2190-0006
5-Methoxy-2-bromobenzoic acid
AC-2588
DTXSID80177466
SCHEMBL227238
2-Bromo-5-methoxybenzoic acid, 98%
AKOS000120615
EN300-21064
MFCD00020214
AJ-333/09217059
CL8029
J-014903
A4866
NS00027299
Z104487486
2-bromo-5-methoxy-benzoic acid
FS-3346
6-Bromo-m-anisic acid
CS-W012953
2-bromo-5-(methyloxy)benzoic acid
FT-0621001
2-bromo-5-methoxy benzoic acid
Benzoic acid, 2-bromo-5-methoxy-
2-Bromo-5-methoxybenzoicacid
2-Bromo-5-methoxybenzoic acid
InChI=1/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11
EINECS 245-329-2
AM20050234
STR03486
SY002265

MDL Number

MFCD00020214

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 2-Bromo-5-methoxybenzoic acid (CAS: 22921-68-2)?

2-Bromo-5-methoxybenzoic acid is a crystalline solid at room temperature. Its molecular weight is approximately 260.04 g/mol. It has a melting point of 159-160°C and is slightly soluble in water. The compound is reactive towards nucleophiles and can undergo bromination and methoxylation reactions. It is not flammable but can react with strong bases or reducing agents.

How is 2-Bromo-5-methoxybenzoic acid (CAS: 22921-68-2) typically synthesized?

2-Bromo-5-methoxybenzoic acid can be synthesized by bromination of 5-methoxybenzoic acid followed by reagent exchange with bromine. The reaction is typically carried out in the presence of a phase-transfer catalyst. The yield is around 85-90%, and the final product is isolated by recrystallization from ethanol or acetone.

What industries use 2-Bromo-5-methoxybenzoic acid (CAS: 22921-68-2)?

2-Bromo-5-methoxybenzoic acid is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It is also utilized in the manufacturing of organic pigments, sensors, and as a component in some polymer synthesis processes. Its reactivity makes it useful in various chemical transformations.

What precautions should be taken when handling 2-Bromo-5-methoxybenzoic acid (CAS: 22921-68-2)?

When handling 2-Bromo-5-methoxybenzoic acid, it is important to wear appropriate 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 avoid exposure to vapors. Spills should be handled according to a safety data sheet (SDS) and disposed of properly. The compound is not flammable but can react with strong bases or reducing agents, so care should be taken to avoid these conditions.