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D91705

Sigma-Aldrich

Diethyl cyanomethylphosphonate

98%

Synonym(s):

(Diethylphosphono)acetonitrile, Cyanomethylphosphonic acid diethyl ester

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About This Item

Linear Formula:
NCCH2PO(OC2H5)2
CAS Number:
2537-48-6
Molecular Weight:
177.14
Beilstein:
1772981
EC Number:
219-806-0
MDL number:
MFCD00001893
UNSPSC Code:
12352108
PubChem Substance ID:
24894272
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.434 (lit.)

bp

101-102 °C/0.4 mmHg (lit.)

density

1.095 g/mL at 25 °C (lit.)

SMILES string

CCOP(=O)(CC#N)OCC

InChI

1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3

InChI key

KWMBADTWRIGGGG-UHFFFAOYSA-N

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General description

Diethyl cyanomethylphosphonate is used as a reagent in horner wadsworth emmons olefination reaction.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

D91705-VAR:
D91705-BULK:
D91705-10G:4548173194974
D91705-50G:4548173194981

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF1938V
WXBD9133V
SHBH6610
SHBD7327V
SHBB7394V

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Synthesis of Penta-2, 4-dienenitriles by the Horner--Wadsworth--Emmons Olefination of Enones
Carlos B E et al.
Synthesis, 49, 5131-5142 (2017)

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