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Sigma-Aldrich

2-Fluoro-5-methylbenzonitrile

99%

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About This Item

Linear Formula:
FC6H3(CH3)CN
CAS Number:
64113-84-4
Molecular Weight:
135.14
MDL number:
MFCD00134542
UNSPSC Code:
12352100
PubChem Substance ID:
24863806
NACRES:
NA.22

assay

99%

mp

50-52 °C (lit.)

functional group

fluoro
nitrile

SMILES string

Cc1ccc(F)c(c1)C#N

InChI

1S/C8H6FN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3

InChI key

CMAOLVNGLTWICC-UHFFFAOYSA-N

General description

2-Fluoro-5-methylbenzonitrile is a phenolic cyanide derivative. Its vibrational spectra has been investigated. Vibrational investigations suggest that it belongs to the point group Cs.[1]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

201.2 °F - closed cup

flash_point_c

94 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
00219AH
U20757
09907PE
04131KE
11818JY

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Molecular structure, vibrational spectroscopic studies and analysis of 2-fluoro-5-methylbenzonitrile.
Sundaraganesan N, et al.
Indian Journal of Pure and Applied Physics, 47(7), 481-481 (2009)

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