ChemicalBook--->CAS DataBase List--->234082-35-0

234082-35-0

234082-35-0 Structure

234082-35-0 Structure
IdentificationBack Directory
[Name]

3-Chloro-4-fluoro Methyl benzoate
[CAS]

234082-35-0
[Synonyms]

Chloro-4-fluorobenzoate
methyl 3-Chloro-6-fluorobenzoate
3-Chloro-4-fluoro Methyl benzoate
Benzoic acid, 3-chloro-4-fluoro-, methyl ester
[Molecular Formula]

C8H6ClFO2
[MDL Number]

MFCD06203675
[MOL File]

234082-35-0.mol
[Molecular Weight]

188.58
Chemical PropertiesBack Directory
[Boiling point ]

238℃
[density ]

1.314
[Fp ]

102℃
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid-Liquid Mixture
[InChI]

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

RUTYNTBIMOCJMW-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(F)C(Cl)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H372-H317-H334-H350
[Precautionary statements ]

P501-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P308+P313-P362+P364-P304+P340-P333+P313-P405
[HS Code ]

2916310090
Hazard InformationBack Directory
[Chemical Properties]

off-white powder
[Uses]

Methyl 3-chloro-4-fluorobenzoate is a halogenated organic compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
[Synthesis]

Methanol

67-56-1

3-Chloro-4-fluorobenzoyl chloride

65055-17-6

Methyl 3-chloro-4-fluorobenzoate

234082-35-0

Example 1 Preparation of methyl 3-chloro-4-fluorobenzoate In a 250 mL four-necked round-bottomed flask assembled with a mechanical stirrer, condenser tube and thermometer, 86.5 g of 3-chloro-4-fluorobenzoyl chloride was added. 28.1 g of anhydrous methanol was added slowly through a constant pressure dropping funnel. The reaction was exothermic and the temperature was raised to 60 °C spontaneously. The titration rate of methanol was controlled to maintain the reaction temperature at about 60 °C. The reaction mixture was stirred for 1 hour and the excess methanol was removed by distillation. A final 80 g of yellow oily material was obtained as methyl 3-chloro-4-fluorobenzoate in 97.29% yield.

[References]

[1] Patent: WO2003/95417, 2003, A1. Location in patent: Page/Page column 6
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-chloro-4-fluorobenzoate(234082-35-0)1HNMR
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