o-Toluenesulfonyl Isocyanate


Chemical Name: o-Toluenesulfonyl Isocyanate
CAS Number: 32324-19-9
Product Number: AG003HYC(AGN-PC-0WQUP9)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
BP:
129 °C (5 mmHg)
Form:
Liquid
Refractive Index:
n20/D 1.54(lit.)
Solubility:
reacts
Computed Properties
Molecular Weight:
197.208g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
197.015g/mol
Monoisotopic Mass:
197.015g/mol
Topological Polar Surface Area:
72A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
311
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-H315-H319-H331-H334-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P285-P301+P310-P302+P352-P304-P304+P340-P304+P341-P305+P351+P338-P311-P312-P321-P330-P332+P313-P337+P313-P340-P342+P311-P362-P403-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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