Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate

CAS Registry Number®

4151-51-3
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CAS Name

Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate

Molecular Formula

C21H12N3O6PS

Molecular Mass

465.38

Cite this Page

Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4151-51-3 (retrieved 2024-09-10) (CAS RN: 4151-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H

InChIKey

InChIKey=KGLSETWPYVUTQX-UHFFFAOYSA-N

SMILES

P(OC1=CC=C(N=C=O)C=C1)(OC2=CC=C(N=C=O)C=C2)(OC3=CC=C(N=C=O)C=C3)=S

Canonical SMILES

O=C=NC1=CC=C(OP(=S)(OC2=CC=C(N=C=O)C=C2)OC3=CC=C(N=C=O)C=C3)C=C1

Other Names for this Substance

  • Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate
  • Isocyanic acid, p-hydroxyphenyl ester, phosphorothioate (3:1) (ester)
  • Phosphorothioic acid, O,O,O-tris(p-isocyanatophenyl) ester
  • Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)
  • Phenol, p-isocyanato-, phosphorothioate (3:1) (ester)

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Deleted or Replaced CAS Registry Numbers

287726-52-7