Butonate

CAS Registry Number®

126-22-7

CAS Name

Butonate

Molecular Formula

C8H14Cl3O5P

Molecular Mass

327.53

Cite this Page

Butonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126-22-7 (retrieved 2024-11-24) (CAS RN: 126-22-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    129 °C @ Press: 0.5 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3

InChIKey

InChIKey=BKAQXYNWONVOAX-UHFFFAOYSA-N

SMILES

P(C(OC(CCC)=O)C(Cl)(Cl)Cl)(OC)(OC)=O

Canonical SMILES

O=C(OC(C(Cl)(Cl)Cl)P(=O)(OC)OC)CCC

Other Names for this Substance

  • Butanoic acid, 2,2,2-trichloro-1-(dimethoxyphosphinyl)ethyl ester
  • Butyric acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
  • Butonate
  • Dimethoxy-2,2,2-trichloro-1-n-butyryloxy-ethylphosphine oxide
  • O,O-Dimethyl 2,2,2-trichloro-1-(n-butyryloxy)ethylphosphonate

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