Iodoacetonitrile

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Catalog Number
ACM624759
Product Name
Iodoacetonitrile
Structure
Structure
CAS
624-75-9
Category
Heterocyclic Organic Compound
Synonyms
2-iodoacetonitrile
IUPAC Name
2-iodoacetonitrile
Molecular Weight
166.95
Molecular Formula
C2H2IN
Canonical SMILES
C(C#N)I
InChI Key
VODKOOOHHCAWFR-UHFFFAOYSA-N
Boiling Point
182-184ºC (720 mmHg)
Flash Point
86ºC
Density
2.307
Appearance
clear red to brown liquid
Complexity
41
Defined Atom Stereocenter Count
0
EC Number
210-860-0
Exact Mass
166.9232
Formal Charge
0
Hazard Statements
T:Toxic;
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
4
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
166.9232
Packing Group
II
Rotatable Bond Count
0
Safety Description
S24/25-S45
Topological Polar Surface Area
23.8 Ų
WGK Germany
3
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