Benzene, 1,3-dichloro-5-isocyanato-


Chemical Name: Benzene, 1,3-dichloro-5-isocyanato-
CAS Number: 34893-92-0
Product Number: AG003ILX(AGN-PC-0JM0P3)
Synonyms:
MDL No: MFCD00013859
Molecular Formula: C7H3Cl2NO
Molecular Weight: 188.0108

Identification/Properties


Properties
MP:
32-34 °C(lit.)
BP:
264.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.6000 (estimate)
Solubility:
decomposes
Computed Properties
Molecular Weight:
188.007g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
186.959g/mol
Monoisotopic Mass:
186.959g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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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