Benzene, 1-isocyanato-4-methyl-


Chemical Name: Benzene, 1-isocyanato-4-methyl-
CAS Number: 622-58-2
Product Number: AG003U1F(AGN-PC-0BOWVL)
Synonyms:
MDL No:
Molecular Formula: C8H7NO
Molecular Weight: 133.1473

Identification/Properties


Properties
BP:
190.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.531(lit.)
Computed Properties
Molecular Weight:
133.15g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
133.053g/mol
Monoisotopic Mass:
133.053g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
141
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:
H302+H312+H332-H315-H319-H334-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P342+P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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