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Structure

1-Isoquinolinecarbonitrile

CAS
1198-30-7
Catalog Number
ACM1198307
Category
Other Products
Molecular Weight
154.17
Molecular Formula
C10H6N2

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Specification

Synonyms
Isoquinaldonitrile, 1-Isoquinolinecarbonitrile, 1-Cyanoisoquinoline, Maybridge1_002114, 357952_ALDRICH, ZERO/005055, NSC203335, ZINC00112431, AQ-776/40170967, SR-01000635070-1, 1198-30-7
IUPAC Name
isoquinoline-1-carbonitrile
Canonical SMILES
C1=CC=C2C(=C1)C=CN=C2C#N
InChI Key
HJHXYSBRTVFEDD-UHFFFAOYSA-N
Boiling Point
348.9ºC at 760 mmHg
Melting Point
90-92ºC
Flash Point
121.6ºC
Density
1.21 g/cm³
Appearance
white solid
Exact Mass
154.05300
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S37/39
WGK Germany
3
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