Butane, 1,4-diisocyanato-


Chemical Name: Butane, 1,4-diisocyanato-
CAS Number: 4538-37-8
Product Number: AG003DON(AGN-PC-0JQ92L)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O2
Molecular Weight: 140.1399

Identification/Properties


Properties
MP:
0°C
BP:
102-104 °C14 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.453
Computed Properties
Molecular Weight:
140.142g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
140.059g/mol
Monoisotopic Mass:
140.059g/mol
Topological Polar Surface Area:
58.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
147
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

Safety Information


NMR Spectrum


Other Analytical Data


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