Benzene, 1-isocyanato-3-methoxy-


Chemical Name: Benzene, 1-isocyanato-3-methoxy-
CAS Number: 18908-07-1
Product Number: AG002HUC(AGN-PC-0JLX2A)
Synonyms:
MDL No:
Molecular Formula: C8H7NO2
Molecular Weight: 149.1467

Identification/Properties


Properties
BP:
94-95 °C10 mm Hg(lit.)
Storage:
2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.543(lit.)
Computed Properties
Molecular Weight:
149.149g/mol
XLogP3:
3.1
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:
164
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:
P233-P260-P261-P264-P270-P271-P280-P285-P301+P312-P302+P352-P304-P304+P340-P304+P341-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P342+P311-P362-P363-P403-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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