p-Toluenesulfonyl isocyanate
CAS Registry Number®
4083-64-1
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CAS Name
p-Toluenesulfonyl isocyanateMolecular Formula
C8H7NO3SMolecular Mass
197.21Cite this Page
p-Toluenesulfonyl isocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4083-64-1 (retrieved ) (CAS RN: 4083-64-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
114-116 °C @ Press: 0.3-0.5 TorrMelting Point (2)
188-189 °CDensity (3)
3.877 g/cm³ @ Temp: 827 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
InChIKey
InChIKey=VLJQDHDVZJXNQL-UHFFFAOYSA-N
SMILES
S(N=C=O)(=O)(=O)C1=CC=C(C)C=C1
Canonical SMILES
O=C=NS(=O)(=O)C1=CC=C(C=C1)C
Other Names for this Substance
- Benzenesulfonyl isocyanate, 4-methyl-
- p-Toluenesulfonic acid, anhydride with isocyanic acid
- Isocyanic acid, anhydride with p-toluenesulfonic acid
- 4-Methylbenzenesulfonyl isocyanate
- p-Toluenesulfonyl isocyanate
Deleted or Replaced CAS Registry Numbers
102086-99-7
