Iodoacetonitrile

CAT: 0572-TRC-I686760-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-I686760-500MGSize:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

624-75-9

Hazard Statement

Toxic if swallowed; UN number: UN2922; Packing Group: II

Purity

>95% (GC)

Smiles

C(C#N)I

Molecular Formula

C2H2NI

Molecular Weight

166.94

Shipping Conditions

Ice Packs

Storage Conditions

+4°C

Chemical Information

Iodoacetonitrile

CAS Number	624-75-9
PubChem CID	69356
IUPAC Name	2-iodoacetonitrile
Molecular Formula	C2H2IN
Molecular Weight	166.95
XLogP	0.7
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	41

SMILES

C(C#N)I

InChI

InChI=1S/C2H2IN/c3-1-2-4/h1H2

InChIKey

VODKOOOHHCAWFR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 624-75-9

CID: 69356

Formula: C2H2IN

MW: 166.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.95
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	166.92320
Monoisotopic Mass	166.92320
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	41.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A260830-01	Iodoacetonitrile
I02400	Iodoacetonitrile, 95%