2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

Base Information

• Chemical Name: 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate
• CAS No.: 291756-76-8
• Molecular Formula: C7H14ClF6N2P
• Molecular Weight: 306.62
• European Community (EC) Number: 619-785-1,692-010-2
• UNII: X3ESZ1676P
• Wikidata: Q27293510
• Mol file: 291756-76-8.mol

Synonyms:249561-98-6;291756-76-8;2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate;N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V);2-Chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate;Vinamidinium hexaflurophophate;X3ESZ1676P;(Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate;[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate;2-Propen-1-aminium, 2-chloro-3-(dimethylamino)-N,N-dimethyl-, (2Z)-, hexafluorophosphate(1-) (1:1);EC 619-785-1;N-[2-Chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methylmethanaminium Hexafluorophosphate;N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate(V);(Z)-2-chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate;(2Z)-2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate;2-Chloro-3-(dimethylamino)-N,N-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-);N-(2-Chloro-3-(dimethylamino)-2-propenylidene)-N-methylmethanaminuium hexafluorophosphate;N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminiumhexafluorophosphate(V);Methanaminium, N-((2Z)-2-chloro-3-(dimethylamino)-2-propenylidene)-N-methyl-, hexafluorophosphate(1-);Methanaminium, N-(2-chloro-3-(dimethylamino)-2-propenylidene)-N-methyl-, hexafluorophosphate(1-);N-[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate;2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE;MFCD08458255;(Z)-N-(2-CHLORO-3-(DIMETHYLAMINO)ALLYLIDENE)-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE(V);UNII-X3ESZ1676P;PIUHAULDXSPPQV-UHFFFAOYSA-N;AC8643;AKOS015852446;AM86804;CS-W005317;AS-18920;EN300-84491;F15706;A876515;A904645;J-508592;Q27293510;2-chloro-1,3-bis(dimethylamino)trimethinium hexaflurophosphate;2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate, AldrichCPR;((Z)-2-Chloro-3-dimethylamino-allylidene)-dimethyl-ammonium hexafluoro phosphate;2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate;[2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium;hexafluoro-lambda5-phosphanuide

Chemical Property of 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

Chemical Property:

• PSA: 19.84000
• LogP: 4.35350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 306.0487321
• Heavy Atom Count: 17
• Complexity: 201

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-3-(dimethylamino)-N,N-dimethyl-2-propen-1-aminiumHexafluorophosphate(1-) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=C(C=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F
• Isomeric SMILES: CN(C)/C=C(/C=[N+](C)C)\Cl.F[P-](F)(F)(F)(F)F
• 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. This compound 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.