542636
Methyl 2,6-difluorobenzoate
97%
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About This Item
Linear Formula:
F2C6H3CO2CH3
CAS Number:
Molecular Weight:
172.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
SMILES string
COC(=O)c1c(F)cccc1F
InChI key
QNPFLTKQLFSKBY-UHFFFAOYSA-N
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
Quality Level
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
10 - Combustible liquids
wgk
WGK 3
flash_point_f
203.0 °F - closed cup
flash_point_c
95 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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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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