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Structure

PHENOXYACETONITRILE

CAS
3598-14-9
Catalog Number
ACM3598149
Category
Other Products
Molecular Weight
133.15
Molecular Formula
C8H7NO

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Specification

Synonyms
Phenoxyacetonitrile, Acetonitrile, phenoxy-, 499757_ALDRICH, NSC49354, MolPort-000-145-583, CID241641, ZINC01681319, BBV-082391, 3598-14-9
IUPAC Name
2-phenoxyacetonitrile
Canonical SMILES
C1=CC=C(C=C1)OCC#N
InChI Key
VLLSCJFPVSQXDM-UHFFFAOYSA-N
Boiling Point
76-238ºC (0.5 torr)
Flash Point
>230 °F
Density
1.0991
Appearance
clear light yellow-brown liquid
Exact Mass
133.05300
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S36/37
WGK Germany
3
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