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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:
94088-46-7
Molecular Weight:
151.14
EC Number:
302-047-5
MDL number:
MFCD00042291
UNSPSC Code:
12352100
PubChem Substance ID:
24865352
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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBQ7057V
05606HJ
U22740
06201HH
09820DD

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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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