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291756-76-8

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291756-76-8 Structure

291756-76-8 Structure
IdentificationBack Directory
[Name]

2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE
[CAS]

291756-76-8
[Synonyms]

Hexaflurophosphate
Etoricoxib Intermediate 4
Vinamidinium hexaflurophophate
Chloro-1,3-dimethylamino trimethinium Hexafluorophosphate
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE
Chloro-1,3-Bis(Dimethylamino)TrimethiniumHexafluorophosphate
(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
2-Chloro-3-(dimethylamino)-N,N-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-)
(2Z)-2-Chloro-3-(DiMethylaMino)-N,N-DiMethyl-2-Propen-1-IMiniuM Hexafluorophosphate
(Z)-N-[2-Chloro-3-(diMethylaMino)allylidene]-N-MethylMethanaMiniuM Hexafluorophosphate
(Z)-N-(2-Chloro-3-(diMethylaMino)allylidene)-N-MethylMethanaMiniuM hexafluorophosphate(V)
N-[(2Z)-2-Chloro-3-(dimethylamino)-2-propenylidene]-N-methylmethanaminium hexafluorophosphate
N-[(2Z)-2-chloro-3-(diMethylaMino)prop-2-en-1-ylidene]-N-MethylMethanaMiniuM hexafluorophosphate
2-Propen-1-aminium, 2-chloro-3-(dimethylamino)-N,N-dimethyl-, (2Z)-, hexafluorophosphate(1-) (1:1)
[Molecular Formula]

C7H14ClF6N2P
[MDL Number]

MFCD08458255
[MOL File]

291756-76-8.mol
[Molecular Weight]

306.62
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[color ]

Off-white
[InChI]

InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
[InChIKey]

PIUHAULDXSPPQV-UHFFFAOYSA-N
[SMILES]

C(/Cl)(=C\N(C)C)\C=[N+](\C)/C.[P-](F)(F)(F)(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE is an impurity in the synthesis of Etoricoxib (E934100), a specific inhibitor of COX-2. It is also used in the synthesis of selective GlyT1 inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE(291756-76-8)1HNMR
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE(291756-76-8)1HNMR
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE(291756-76-8)19FNMR
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE(291756-76-8)31PNMR
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE(291756-76-8)19FNMR
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE(291756-76-8)31PNMR
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