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Merck
CN

D91705

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
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
24894272
EC Number:
219-806-0
Beilstein/REAXYS Number:
1772981
MDL number:
MFCD00001893
Assay:
98%
Form:
liquid

Key Documents

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Product Name

Diethyl cyanomethylphosphonate, 98%

InChI key

KWMBADTWRIGGGG-UHFFFAOYSA-N

InChI

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

SMILES string

CCOP(=O)(CC#N)OCC

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.)

Quality Level

100

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General description

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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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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