Benzene, 1-isocyanato-4-methoxy-


Chemical Name: Benzene, 1-isocyanato-4-methoxy-
CAS Number: 5416-93-3
Product Number: AG0037AG(AGN-PC-0JLS0E)
Synonyms:
MDL No:
Molecular Formula: C8H7NO2
Molecular Weight: 149.1467

Identification/Properties


Properties
BP:
221.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.548(lit.)
Computed Properties
Molecular Weight:
149.149g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
149.048g/mol
Monoisotopic Mass:
149.048g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
156
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-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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