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542636

Sigma-Aldrich

Methyl 2,6-difluorobenzoate

97%

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About This Item

Linear Formula:
F2C6H3CO2CH3
CAS Number:
Molecular Weight:
172.13
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

refractive index

n20/D 1.476 (lit.)

bp

203-204 °C (lit.)

density

1.281 g/mL at 25 °C (lit.)

functional group

ester
fluoro

SMILES string

COC(=O)c1c(F)cccc1F

InChI

1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

InChI key

QNPFLTKQLFSKBY-UHFFFAOYSA-N

General description

Methyl 2,6-difluorobenzoate is a fluorinated aromatic ester. It can be synthesized from 2,6-difluorobenzoic acid via esterification with methanol.

Application

Methyl 2,6-difluorobenzoate may be used in the synthesis of 9-hydroxy-13-(2,6-difluorophenyl)-3H-dibenzo[b,i]xanthen-3-one and 2,6-difluorobenzohydroxamic acid.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

203.0 °F - closed cup

Flash Point(C)

95 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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2, 6-Difluorobenzohydroxamic acid.
Meng XG and Shang XM.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 62(2), o651-o652 (2006)
Conformational analysis. Part 25. The evaluation of molecular geometries by the lanthanide induced shift (LIS) technique.
Abraham RJ, et al.
J. Chem. Soc. Perkin Trans. II, 11, 1973-1979 (1995)

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