Benzene, 1,3-dichloro-2-isocyanato-


Chemical Name: Benzene, 1,3-dichloro-2-isocyanato-
CAS Number: 39920-37-1
Product Number: AG003G3N(AGN-PC-0JTNGX)
Synonyms:
MDL No:
Molecular Formula: C7H3Cl2NO
Molecular Weight: 188.0108

Identification/Properties


Properties
MP:
43-45℃
Storage:
2-8℃;
Form:
Solid
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2206
Hazard Statements:
H301+H311+H331-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P310-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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