3-Cyanophenyl isocyanate

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Catalog Number
ACM16413266
Product Name
3-Cyanophenyl isocyanate
Structure
Structure
CAS
16413-26-6
Category
Heterocyclic Organic Compound
Synonyms
3-isocyanatobenzonitrile, 3-Cyanophenyl isocyanate, 439991_ALDRICH, ZINC02560436, ALBB-007572, CID2733315, 16413-26-6
IUPAC Name
3-isocyanatobenzonitrile
Molecular Weight
144.13
Molecular Formula
C8H4N2O
Canonical SMILES
C1=CC(=CC(=C1)N=C=O)C#N
InChI Key
NZHPVPMRNASEQK-UHFFFAOYSA-N
Boiling Point
246.2ºC at 760mmHg
Melting Point
49-54ºC
Flash Point
32ºC
Density
1.09g/cm³
Appearance
whit yellowish crystalline solid
Exact Mass
144.03200
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39
WGK Germany
3
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