551163
Diethyl (2-cyanoethyl)phosphonate
95%
Synonym(s):
(2-Cyanoethyl)-phosphonic acid diethyl ester, 3-(Diethylphosphono)propionitrile, NSC 43781, NSC 74863
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About This Item
Linear Formula:
NC(CH2)2P(O)(OC2H5)2
CAS Number:
Molecular Weight:
191.16
EC Number:
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.22
Assay
95%
reaction suitability
reaction type: C-C Bond Formation
refractive index
n20/D 1.4380 (lit.)
bp
110 °C/0.1 mmHg (lit.)
density
1.08 g/mL at 25 °C (lit.)
SMILES string
CCOP(=O)(CCC#N)OCC
InChI
1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-5,7H2,1-2H3
InChI key
LDOZIDLMPNCNDI-UHFFFAOYSA-N
Application
Reactant for:
Reactant for synthesis of:
- Heteroatom-directed alkyl cyanation of alkynes
- Use as a fluorescent substrate for carbon-phosphorous lyase
- Microwave-assisted cleavage of phosphate, phosphonate, and phorphoramide esters
- Amination and stereoselective olefination for synthesis of HIV-1 antivirals
Reactant for synthesis of:
- Base-catalyzed stereospecific anti-Markovnikov addition reactants
- Lipophilic oxoamides with activity against phospholipase A2
- Triose phosphate isomerase of muscle inhibitors
Signal Word
Warning
Hazard Statements
Precautionary 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)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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