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Structure

3-Fluoro-4-methoxybenzonitrile

CAS
331-62-4
Catalog Number
ACM331624
Category
Other Products
Molecular Weight
151.14
Molecular Formula
C8H6FNO

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Specification

Synonyms
Benzonitrile, 3-fluoro-4-methoxy-
IUPAC Name
3-fluoro-4-methoxybenzonitrile
Canonical SMILES
COC1=C(C=C(C=C1)C#N)F
InChI
InChI=1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key
FEEOVAOEPGQDTJ-UHFFFAOYSA-N
Boiling Point
96-98 °C 1mmHg
Melting Point
97-101 °C
Flash Point
88.4ºC
Density
1.18±0.1 g/ml
EC Number
608-835-8
Exact Mass
151.04300
Hazard Statements
T: Toxic;Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S22-S36/37
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