Methyl 2-chloro-4-fluorobenzoate

Basic Information

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CAS Number

85953-29-3

Molecular Formula

C8H6ClFO2

Molecular Weight

188.58 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

Boiling Point

110-115 ºC (15 mmHg)

Flash Point

103-105℃/15mm

Refractive Index

1.5150 to 1.5190

SMILES

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O=C(OC)C1=CC=C(F)C=C1Cl

InChI

InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3

InChIKey

YZDLPZNWBRBZMZ-UHFFFAOYSA-N

LogP

2.2657

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

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

Methyl 2-chloro-4-fluorobenzoate
Methyl 2-chloro-4-fluorobenzenecarboxylate
2-Chloro-4-fluorobenzoic Acid Methyl Ester
4-Fluoro-2-chlorobenzoic acid methyl ester
2-Chloro-4-fluorobenzoicacid methyl ester
Methyl2-chloro-4-fluorobenzoate
BENZOIC ACID, 2-CHLORO-4-FLUORO-, METHYL ESTER
2-chloro-4-fluoro-benzoic acid methyl ester
PubChem18760
KSC495C1P
methy 2-chloro-4-fluorobenzoate
methyl-2-chloro-4-fluorobenzoate
YZDLPZNWBRBZMZ-UHFFFAOYSA-N
WT1860
SBB053708
met
methyl 2-chloro-4-fluorobenzoate

MDL Number

MFCD00173937

FAQ

What are the physical and chemical properties of Methyl 2-chloro-4-fluorobenzoate (CAS: 85953-29-3)?

Methyl 2-chloro-4-fluorobenzoate is a crystalline solid with a molecular weight of approximately 191.01 g/mol. Its solubility is about 3.5 g/L in water and it is slightly soluble in ethanol. This compound is relatively reactive, particularly with nucleophiles. It exhibits high reactivity due to the electrophilic aromatic character of the chloro and fluoro substituents.

How is Methyl 2-chloro-4-fluorobenzoate (CAS: 85953-29-3) typically synthesized?

Methyl 2-chloro-4-fluorobenzoate is commonly synthesized by the chlorination of methyl benzoate followed by fluorination. The chlorination step is usually performed with thionyl chloride, while the fluorination can be achieved using hydrogen fluoride or fluoroform in the presence of a suitable catalyst such as aluminum fluoride.

What industries use Methyl 2-chloro-4-fluorobenzoate (CAS: 85953-29-3)?

Methyl 2-chloro-4-fluorobenzoate finds applications in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in polymer synthesis, as a precursor for the production of fluorinated polymers. Additionally, it is used in the development of sensors and semiconductors due to its specific chemical properties.

What precautions should be taken when handling Methyl 2-chloro-4-fluorobenzoate (CAS: 85953-29-3)?

When handling Methyl 2-chloro-4-fluorobenzoate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. Work should be conducted in a fume hood to minimize exposure. Spills should be carefully managed and cleaned up using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).