Benzene, 1-(isocyanatomethyl)-4-methoxy-


Chemical Name: Benzene, 1-(isocyanatomethyl)-4-methoxy-
CAS Number: 56651-60-6
Product Number: AG003LNF(AGN-PC-0JNJUJ)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Properties
BP:
60-66 °C0.6 mm Hg(lit.)
Storage:
2-8℃;Inert atmosphere;
Form:
Liquid
Refractive Index:
n20/D 1.433(lit.)
Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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-H315-H319-H332-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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