Benzenesulfonyl isocyanate, 4-methyl-


Chemical Name: Benzenesulfonyl isocyanate, 4-methyl-
CAS Number: 4083-64-1
Product Number: AG003UUB(AGN-PC-0JLQVP)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3S
Molecular Weight: 197.2111

Identification/Properties


Properties
MP:
5°C
BP:
288.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.534(lit.)
Computed Properties
Molecular Weight:
197.208g/mol
XLogP3:
2.7
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:
303
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:
H315-H319-H334-H335
Precautionary Statements:
P261-P264-P280-P284-P304+P340+P312-P342+P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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