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359866

Diethyl isocyanomethylphosphonate

97%

Synonym(s):

Isocyanomethylphosphonic acid diethyl ester

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About This Item

Linear Formula:
CNCH2P(O)(OC2H5)2
CAS Number:
41003-94-5
Molecular Weight:
177.14
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
24862114
MDL number:
MFCD00042951
Beilstein/REAXYS Number:
4674920
Assay:
97%
Form:
liquid
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assay

97%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.433 (lit.)

bp

84-87 °C/0.1 mmHg (lit.)

density

1.105 g/mL at 25 °C (lit.)

functional group

amine, isonitrile, phosphonate

storage temp.

2-8°C

SMILES string

CCOP(=O)(C[N+]#[C-])OCC

InChI

1S/C6H12NO3P/c1-4-9-11(8,6-7-3)10-5-2/h4-6H2,1-2H3

InChI key

ICURVXBGGDVHDT-UHFFFAOYSA-N

Application

Reactant for:
  • Copper-catalyzed cycloaddition reactions
  • Preparation of orally bioavailable diamide prodrugs that lower glucose in diabetic animals through inhibition of fructose-1,6-bisphosphatase
  • Synthesis of sterol analogs as antifungal agents against plant pathogens
  • Asymmetric synthesis of steroidal 2,5-diketopiperazines prepared via isocyanide chemistry based on stereoselective Ugi four component condensation and subsequent cyclocondensation reactions
  • The Passerini reaction

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

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
BCBQ2892V
0000067648
0000062820
BCBB1326V
BCBB1325V

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Global Trade Item Number

SKUGTIN
359866-1ML04061837887192