2-Butenedinitrile, (2E)-


Chemical Name: 2-Butenedinitrile, (2E)-
CAS Number: 764-42-1
Product Number: AG0034YJ(AGN-PC-0OHTCL)
Synonyms:
MDL No:
Molecular Formula: C4H2N2
Molecular Weight: 78.0721

Identification/Properties


Properties
MP:
93-95 °C(lit.)
BP:
187.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4920 (589.3 nm 20℃)
Solubility:
ethanol: soluble50 (mg/mL; colorless to yellow)
Computed Properties
Molecular Weight:
78.074g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
78.022g/mol
Monoisotopic Mass:
78.022g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
119
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
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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