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Linear Formula:
F2C6H3CO2CH3
CAS Number:
Molecular Weight:
172.13
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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.)
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.
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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