ChemicalBook--->CAS DataBase List--->54091-78-0

54091-78-0

54091-78-0 Structure

54091-78-0 Structure
IdentificationBack Directory
[Name]

DIETHYL (ETHYLTHIOMETHYL)PHOSPHONATE
[CAS]

54091-78-0
[Synonyms]

NSC 140826
DIETHYL ETHYLTHIOMETHANEPHOSPHONATE
DIETHYL (ETHYLTHIOMETHYL)PHOSPHONATE
Diethyl (ethylthiomethyl)phosphonate 97%
Ethylthiomethylphosphonic acid diethyl ester
[(Ethylthio)methyl]phosphonic acid diethyl ester
1-[ethoxy(ethylsulfanylmethyl)phosphoryl]oxyethane
Phosphonic acid, P-[(ethylthio)methyl]-, diethyl ester
[EINECS(EC#)]

258-971-3
[Molecular Formula]

C7H17O3PS
[MDL Number]

MFCD00009269
[MOL File]

54091-78-0.mol
[Molecular Weight]

212.25
Chemical PropertiesBack Directory
[Boiling point ]

127-127.5 °C(Press: 7 Torr)
[density ]

1.097 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.464(lit.)
[Fp ]

>230 °F
[form ]

liquid
[InChI]

1S/C7H17O3PS/c1-4-9-11(8,10-5-2)7-12-6-3/h4-7H2,1-3H3
[InChIKey]

FTTKKJQNGIJGOC-UHFFFAOYSA-N
[SMILES]

CCOP(=O)(CSCC)OCC
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[RIDADR ]

UN 3334
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Preparation of spiro and fused N,O-heterocyclic phosphonate esters as antibacterial and antifungal agents
  • Preparation of spiro-substituted pyrimidine phosphonate esters as antitumor agents
  • Stereoselective Horner-Wadsworth-Emmons reactions
[reaction suitability]

reaction type: C-C Bond Formation
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL (ETHYLTHIOMETHYL)PHOSPHONATE(54091-78-0)1HNMR
DIETHYL (ETHYLTHIOMETHYL)PHOSPHONATE(54091-78-0)FT-IR
DIETHYL (ETHYLTHIOMETHYL)PHOSPHONATE(54091-78-0)Raman
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