N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V) , 97% , 249561-98-6

CAS NO.：249561-98-6

Empirical Formula: C7H14ClF6N2P

Molecular Weight: 306.62

MDL number: MFCD08458255

EINECS: 619-785-1

PRODUCT Properties

• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• color: White to Pale Yellow
• 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: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(=[N+](/C)\C)/C(Cl)=CN(C)C

Description and Uses

N-[2-Chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methylmethanaminium Hexafluorophosphate is used in the preparation of etoricoxib (E934100). N-[2-Chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methylmethanaminium Hexafluorophosphate is a thermally shock stable and non-hygroscopic solid.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H317-H302-H319
• Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501