3-Fluoro-4-methoxybenzoic acid

Basic Information

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CAS Number

403-20-3

Molecular Formula

C8H7FO3

Molecular Weight

170.14 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

210.0 to 224.0 deg-C

Boiling Point

286.4℃/760mmHg

Flash Point

167℃

SMILES

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COC1=C(C=C(C=C1)C(=O)O)F

InChI

InChI=1S/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

InChIKey

HYNNNQDQEORWEU-UHFFFAOYSA-N

LogP

1.5325

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AC-3972
AM61513
InChI=1/C8H7FO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11
DTXSID90369895
HMS2332N15
Z57169536
3-Fluoro-4-methoxybenzoicacid
FT-0615689
F0451-0003
3-Fluoro-4-methoxybenzoic acid, 98%
CHEMBL1578516
AKOS000264362
3-Fluoro-p-anisic Acid
EU-0033392
SMR000018990
HYNNNQDQEORWEU-UHFFFAOYSA-N
J-512492
403-20-3
MFCD00060675
CS-W017706
EN300-12935
3-fluoro-4-methoxy benzoic acid
3-fluoro-4-methoxy-benzoic acid
MLS000084642
SCHEMBL503994
Opera_ID_903
SR-01000388843-1
Benzoic acid, 3-fluoro-4-methoxy-
SR-01000388843
A20022
3-fluoro-4-methoxybenzoic acid

MDL Number

MFCD00060675

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 3-Fluoro-4-methoxybenzoic acid (CAS: 403-20-3)?

3-Fluoro-4-methoxybenzoic acid is a white crystalline solid with a molecular weight of 192.07 g/mol. It has a high solubility in water and is slightly soluble in ethanol. Chemically, it is acidic and can react with bases to form salts. It is also known for its reactivity in esterification and amidation reactions.

How is 3-Fluoro-4-methoxybenzoic acid (CAS: 403-20-3) typically synthesized?

3-Fluoro-4-methoxybenzoic acid is commonly synthesized through the protection of methoxybenzoic acid followed by halogenation. The process typically involves the reaction of 4-methoxybenzoic acid with fluorinating agents such as thionyl chloride in the presence of a suitable solvent. The precision and selectivity of the synthesis can be enhanced using catalytic systems.

What industries use 3-Fluoro-4-methoxybenzoic acid (CAS: 403-20-3)?

3-Fluoro-4-methoxybenzoic acid is widely used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the polymer industry, where it is used as a monomer for certain polymer formulations. Additionally, it plays a role in the development of sensors and semiconductor devices due to its reactive properties.

What precautions should be taken when handling 3-Fluoro-4-methoxybenzoic acid (CAS: 403-20-3)?

When handling 3-Fluoro-4-methoxybenzoic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The material should be stored in a cool, dry place away from sources of heat and light. In case of a spill, it is recommended to use a fume hood for safety. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.