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542636

Methyl 2,6-difluorobenzoate

Name: Methyl 2,6-difluorobenzoate
Brand: ALDRICH

97%

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About This Item

Linear Formula:

F₂C₆H₃CO₂CH₃

CAS Number:

13671-00-6

Molecular Weight:

172.13

NACRES:

NA.22

PubChem Substance ID:

24878619

UNSPSC Code:

12352100

MDL number:

MFCD00051778

Assay:

97%

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Properties

Quality Level

100

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

Description

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)

Global Trade Item Number

SKU	GTIN
542636-25G	04061832567266