Benzene, 1,4-diisocyanato-


Chemical Name: Benzene, 1,4-diisocyanato-
CAS Number: 104-49-4
Product Number: AG003DPD(AGN-PC-0JL47W)
Synonyms:
MDL No:
Molecular Formula: C8H4N2O2
Molecular Weight: 160.1296

Identification/Properties


Properties
MP:
96-99 °C(lit.)
BP:
260.0°C
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Refractive Index:
1.4900 (estimate)
Solubility:
THF: soluble
Computed Properties
Molecular Weight:
160.132g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
160.027g/mol
Monoisotopic Mass:
160.027g/mol
Topological Polar Surface Area:
58.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
205
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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