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406058

Sigma-Aldrich

2-Fluoro-6-methoxybenzonitrile

98%

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About This Item

Linear Formula:
FC6H3(OCH3)CN
CAS Number:
Molecular Weight:
151.14
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

form

solid

mp

103-105 °C (lit.)

SMILES string

COc1cccc(F)c1C#N

InChI

1S/C8H6FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3

InChI key

YPMSIWYNTPSPMV-UHFFFAOYSA-N

General description

2-Fluoro-6-methoxybenzonitrile (FMBN) is a fluorinated organic building block used in organic synthesis. Molecular structure and vibrational spectra of FMBN have been investigated.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


Certificates of Analysis (COA)

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Vibrational spectra and electrostatic potential surface of 2-fluoro-6-methoxybenzonitrile based on quantum chemical calculations.
Murugan M, et al.
Journal of Chemical and Pharmaceutical Research, 4(7), 3400-3413 (2012)

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