ChemicalBook--->CAS DataBase List--->455-68-5

455-68-5

455-68-5 Structure

455-68-5 Structure
IdentificationBack Directory
[Name]

METHYL 3-FLUOROBENZOATE
[CAS]

455-68-5
[Synonyms]

RARECHEM AL BF 0054
Inter-fluorobenzoate
METHYL 3-FLUOROBENZOATE
Methyl3-fluorobenzoate97%
Fluorbenzoesuremethylester
Methyl 3-fluorobenzoate, 95+%
3-FLUOROBENZOIC ACID, METHYL ESTER
Benzoic acid, 3-fluoro-, methyl ester
[Molecular Formula]

C8H7FO2
[MDL Number]

MFCD03094302
[MOL File]

455-68-5.mol
[Molecular Weight]

154.14
Chemical PropertiesBack Directory
[Appearance]

Colourless Liquid
[Melting point ]

-10 °C
[Boiling point ]

194-195 °C
[density ]

1.171±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetone, DMSO, Ethyl Acetate
[form ]

Colourless Liquid
[InChI]

1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
[InChIKey]

YXZNVLYXBIIIOB-UHFFFAOYSA-N
[SMILES]

O=C(OC)C1=CC=CC(F)=C1
Hazard InformationBack Directory
[Chemical Properties]

Colourless Liquid
[Uses]

3-Fluorobenzoic Acid Methyl Ester (cas# 455-68-5) is a compound useful in organic synthesis.
Safety DataBack Directory
[Hazard Codes ]

T
[Hazard Note ]

Toxic
[HS Code ]

2916310090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Dichloromethane-->Thionyl chloride-->Toluene-->3-Fluorobenzoic acid-->Benzoic acid, 3-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester-->3-Fluorobenzoyl chloride-->3-Fluorophenylboronic acid-->Methyl 3-iodobenzoate-->Carbon dioxide-->2-Fluorobenzoic acid
[Preparation Products]

Methyl 5-fluoro-2-hydroxybenzoate-->methyl 2-fluoro-3-nitrobenzoate-->3-Fluorobenzyl alcohol-->Methyl benzoate-->Pinacol
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 3-FLUOROBENZOATE(455-68-5)1HNMR
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