3-Hexenedinitrile


Chemical Name: 3-Hexenedinitrile
CAS Number: 1119-85-3
Product Number: AG0032MX(AGN-PC-0JKBMX)
Synonyms:
MDL No:
Molecular Formula: C6H6N2
Molecular Weight: 106.1252

Identification/Properties


Properties
MP:
74-79 °C
BP:
120 °C / 0.7mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5400 (estimate)
Computed Properties
Molecular Weight:
106.128g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
106.053g/mol
Monoisotopic Mass:
106.053g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301+H311+H331-H315-H319
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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