2,4-Dimethoxybenzoic acid

Basic Information

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CAS Number

91-52-1

Molecular Formula

C9H10O4

Molecular Weight

182.17 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

Basic Physical Properties

Melting Point

108.0 to 112.0 deg-C

Boiling Point

275.56°C (rough estimate)

Density

1.2481 (rough estimate)

Flash Point

125.8℃

Refractive Index

1.4500 (estimate)

SMILES

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

InChI

InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

LogP

1.402

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

181

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

AI3-27498
EN300-20039
AC7813
2.4-dimethoxybenzoic acid
2, 4-dimethoxybenzoic acid
SY006197
2,4-Dimethoxybenzoic acid, 98%
F0850-6813
2,4 dimethoxybenzoic acid
MFCD00002434
2,4-dimethoxybenzoesyre
5699CY3NQJ
Benzoic acid, 2,4-dimethoxy-
2, 4-dimethoxy benzoic acid
2,4-Dimethoxy benzoic acid
4-methoxy-2-methoxy benzoic acid
CHEMBL463921
2,4-dimethoxy-benzoic acid
91-52-1
InChI=1/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11
SCHEMBL154613
Q63393546
AKOS000119531
AM20060752
2,4-di-methoxybenzoic acid
A843962
NSC6316
W-100307
STL169141
AC-23686
BBL027381

MDL Number

MFCD00002434

Customs Code

29189090

FAQ

What are the physical and chemical properties of 2,4-Dimethoxybenzoic acid (CAS: 91-52-1)?

2,4-Dimethoxybenzoic acid (CAS: 91-52-1) is a white or off-white crystalline solid. The molecular weight is approximately 184.18 g/mol. It is slightly soluble in water but more soluble in organic solvents. Chemically, it is moderately reactive, particularly with bases and nucleophiles. It can undergo esterification, amide formation, and other reactions typical of carboxylic acids.

How is 2,4-Dimethoxybenzoic acid (CAS: 91-52-1) typically synthesized?

2,4-Dimethoxybenzoic acid is typically synthesized through the nitration of m-dimethylphenol followed by reduction of the nitro group. A common method involves reacting m-dimethylphenol with nitric acid in the presence of sulfuric acid as a catalyst. The nitro group is then reduced to an amino group using sodium borohydride, followed by oxidation to the carboxylic acid group.

What industries use 2,4-Dimethoxybenzoic acid (CAS: 91-52-1)?

2,4-Dimethoxybenzoic acid (CAS: 91-52-1) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of antihistamines and analgesics. It also finds applications in the polymer industry for the development of new materials, and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2,4-Dimethoxybenzoic acid (CAS: 91-52-1)?

When handling 2,4-Dimethoxybenzoic acid (CAS: 91-52-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or under a fume hood to avoid inhalation of dust or vapors. Spills should be handled carefully, collected, and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.