ChemicalBook--->CAS DataBase List--->176325-83-0

176325-83-0

176325-83-0 Structure

176325-83-0 Structure
IdentificationBack Directory
[Name]

Cyanomethylenetrimethylphosphorane solution
[CAS]

176325-83-0
[Synonyms]

(Trimethylphosphoranylidene)acetonitrile
Cyanomethylenetrimethylphosphorane solution
Acetonitrile, 2-(trimethylphosphoranylidene)-
2-(trimethyl-$l^{5}-phosphanylidene)acetonitrile
(Trimethylphosphoranylidene)acetonitrile solution
(Trimethylphosphoranylidene)acetonitrile solution 0.5 M in THF
[Molecular Formula]

C5H10NP
[MDL Number]

MFCD17013403
[MOL File]

176325-83-0.mol
[Molecular Weight]

115.11
Chemical PropertiesBack Directory
[Melting point ]

57-62 °C(Solv: benzene (71-43-2))
[Boiling point ]

173.0±23.0 °C(Predicted)
[density ]

0.896 g/mL at 25 °C
[Fp ]

-21℃
[storage temp. ]

2-8°C
[form ]

liquid
[InChI]

1S/C5H10NP/c1-7(2,3)5-4-6/h5H,1-3H3
[InChIKey]

KJFJIEHJCVSAKJ-UHFFFAOYSA-N
[SMILES]

CP(C)(C)=CC#N
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H332-H319-H335-H351
[Precautionary statements ]

P210-P261-P280-P305+P351+P338-P370+P378-P403+P235
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-19-22-36/37-40
[Safety Statements ]

16-26-36/37
[RIDADR ]

UN 2056 3 / PGII
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Carc. 2
Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

(Trimethylphosphoranylidene)acetonitrile is a reagent generally employed in the Wittig olefination of less reactive carboxylic acid compounds like esters, N-Boc lactams, lactones, and imides to give α,β-unsaturated nitriles. It is also used as an alternate reagent for Mitsonobu reaction by replacing DEAD/PPh3 for the alkylation of C-H and N-H bonds.
[General Description]

(Trimethylphosphoranylidene)acetonitrile is a reagent generally employed in the Wittig olefination of less reactive carboxylic acid compounds like esters, N-Boc lactams, lactones, and imides to give α,β-unsaturated nitriles. It is also used as an alternate reagent for Mitsonobu reaction by replacing DEAD/PPh3 for the alkylation of C-H and N-H bonds.
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