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408573

Sigma-Aldrich

Diethyl (1-cyanoethyl)phosphonate

97%

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Synonym(s):
(1-Cyanoethyl)phosphonic acid diethyl ester, NSC 135193
Linear Formula:
CH3CH(CN)P(O)(OC2H5)2
CAS Number:
Molecular Weight:
191.16
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.432 (lit.)

bp

140-141 °C/11 mmHg (lit.)

density

1.085 g/mL at 25 °C (lit.)

SMILES string

CCOP(=O)(OCC)C(C)C#N

InChI

1S/C7H14NO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h7H,4-5H2,1-3H3

InChI key

UMLWEPGSWQNXQX-UHFFFAOYSA-N

Related Categories

Application

Reacant for:
  • Preparation of sphingosine phosphate receptor (S1P) agonists with N-cinnamyl-ß-alanine moiety
  • Preparation of benzyl- and benzoyldimethylaminopyridinones as HIV-1 reverse transcriptase inhibitors
  • Stereoselective preparation of cyano(trifluoromethyl)pentenenitriles via alkylation, followed by elimination reaction
  • Synthesis of [(methylenepiperidinyl) or (methylenepyrrolidinyl)fluorophenyl]oxazolidinone antibacterial agents
  • Horner-Wadsworth-Emmons olefination

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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