N-(3-(Dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminium hexafluorophosphate(V)
Basic information
- CAS
291756-82-6- Standard SMILES
CN(C)C=C(C=[N+](C)C)C(F)(F)F.F[P-](F)(F)(F)(F)F- InChIKey
GMWIFDFSXGELQO-UHFFFAOYSA-N- Molecular formula
- C8H14F9N2P
- Average molar mass
- 340.17 g/mol
- Monoisotopic mass
- 340.07508891
Overview
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Names & identifiers
- Preferred name
- N-(3-(Dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminium hexafluorophosphate(V)
- IUPAC
- [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate
- English name
- 2-(Trifluoromethyl)-1,3-bis(dimethylamino)trimethinium hexafluorophosphate
- Molecular formula
- C8H14F9N2P
- Molecular weight
- 340.17
Names & synonyms
N-(3-(Dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminium hexafluorophosphate(V)MFCD08461601C8H14F9N2PSCHEMBL23777955DTXSID709517722-(Trifluoromethyl)-1,3-bis(dimethylamino) trimethinium hexafluorophosphateAB45727DB-050629DB-050635[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethyl-ammonium;hexafluorophosphate3-(Dimethylamino)-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-iminium hexafluoridophosphate(1-)N-[3-(Dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylammonium hexafluorophosphate
Show more names
2-(TRIFLUOROMETHYL)-1,3-BIS(DIMETHYLAMINO)TRIMETHI2-(Trifluoromethyl)-1,3-bis(dimethylamino)trimethinium hexafluorophosphate[(2Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-en-1-ylidene]dimethylazaniumN,N-Dimethyl-N-[(2Z)-3-(dimethylamino)-2-(trifluoromethyl)allylidene]ammonium hexafluorophosphate[(Z)-3-(Dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]dimethylammonium hexafluorophosphate - [T5017]
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 177 · 177-179
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C8H14F3N2.F6P/c1-12(2)5-7(6-13(3)4)8(9,10)11;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
- InChIKey
- GMWIFDFSXGELQO-UHFFFAOYSA-N
- SMILES
- [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(/C(F)(F)F)(=C/N(C)C)\C=[N+](/C)\C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2835299000 · 2835299000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2835299000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Compound notes
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