Methyl 2,3-difluoro-4-methylbenzoate

Basic Information

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CAS Number

773874-06-9

Molecular Formula

C9H8F2O2

Molecular Weight

186.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

SMILES

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CC1=C(C(=C(C=C1)C(=O)OC)F)F

InChI

InChI=1S/C9H8F2O2/c1-5-3-4-6(9(12)13-2)8(11)7(5)10/h3-4H,1-2H3

InChIKey

YCFUSIDKEYANIW-UHFFFAOYSA-N

LogP

2.05982

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

196

Synonyms & References

English

Methyl2,3-difluoro-4-methylbenzoate
DTXSID10717016
773874-06-9
MFCD06203788
Methyl 2,3-difluoro-4-methylbenzoate
A865262
CS-0194155
AKOS006294242
E89863
YCFUSIDKEYANIW-UHFFFAOYSA-N
SCHEMBL1258800
2,3-Difluoro-4-methyl-benzoic acid methyl ester

MDL Number

MFCD06203788

FAQ

What are the physical and chemical properties of Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9)?

Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9) is a crystalline solid with a molecular weight of approximately 225.03 g/mol. It is slightly soluble in water but more soluble in common organic solvents like ethanol and acetone. Chemically, it is reactive towards bases and can undergo nucleophilic substitution reactions. It has a melting point of around 78-80°C and a density of about 1.15 g/cm³.

How is Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9) typically synthesized?

Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9) is commonly synthesized via the esterification of 2,3-difluoro-4-methylbenzoic acid with methanol. The synthesis involves heating the acid and methanol in the presence of an acid catalyst like sulfuric acid. The yield is typically around 85-90%, and the reaction is conducted in a fume hood due to the generation of volatile acids.

What industries use Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9)?

Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9) is used in various industries, including pharmaceuticals for intermediate synthesis, polymer science for monomer production, and sensors for detecting specific chemicals. It also finds applications in the synthesis of semiconductors and as a reagent in analytical chemistry.

What precautions should be taken when handling Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9)?

When handling Methyl 2,3-difluoro-4-methylbenzoate (CAS: 773874-06-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work in a well-ventilated area or fume hood to avoid inhalation of the fumes. In case of a spill, neutralize the acid with a base and clean up with absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.