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Benzeneazomalononitrile

CAT: 0572-TRC-B188850-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B188850-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6017-21-6
Hazard Statement
Harmful if swallowed.
Smiles
N#CC(N=Nc1ccccc1)C#N
Molecular Formula
C9 H6 N4
Molecular Weight
170.17
InChI
InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,9H/b13-12+
Additionnal Information
IUPAC name: 2-[(E)-phenyldiazenyl]propanedinitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-(2-Phenyldiazenyl)propanedinitrile
CAS Number6017-21-6
PubChem CID22347
IUPAC Name2-phenyldiazenylpropanedinitrile
Molecular FormulaC9H6N4
Molecular Weight170.17
XLogP2.7
Topological Polar Surface Area72.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity254
SMILES
C1=CC=C(C=C1)N=NC(C#N)C#N
InChI
InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,9H
InChIKey
KLMBASWITNCMTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Phenyldiazenyl)propanedinitrile
CAS: 6017-21-6
CID: 22347
Formula: C9H6N4
MW: 170.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.17
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass170.059246208
Monoisotopic Mass170.059246208
Topological Polar Surface Area72.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS6062890-01Benzeneazomalononitrile

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