Trichloronate

CAS Registry Number®

327-98-0

CAS Name

Trichloronate

Molecular Formula

C10H12Cl3O2PS

Molecular Mass

333.60

Cite this Page

Trichloronate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=327-98-0 (retrieved 2024-12-21) (CAS RN: 327-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    108 °C @ Press: 0.01 Torr

  • Density (1)

    1.365 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

InChIKey

InChIKey=ANIAQSUBRGXWLS-UHFFFAOYSA-N

SMILES

O(P(OCC)(CC)=S)C1=C(Cl)C=C(Cl)C(Cl)=C1

Canonical SMILES

S=P(OC1=CC(Cl)=C(Cl)C=C1Cl)(OCC)CC

Other Names for this Substance

  • Phosphonothioic acid, ethyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
  • S 4400
  • 5082A
  • BAY 37289
  • Bayer S 4400

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