Basic information
- Standard SMILES
C[N+](C)(C)c1cccc(C(F)(F)F)c1.[I-]- InChIKey
VKZIUXSJJSEBAK-UHFFFAOYSA-M- Molecular formula
- C10H13F3IN
- Average molar mass
- 331.12 g/mol
- Monoisotopic mass
- 331.00448208
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)phenyltrimethylammonium Iodide
- IUPAC
- trimethyl-[3-(trifluoromethyl)phenyl]azanium iodide
- English name
- 3-(Trifluoromethyl)phenyltrimethylammonium iodide
- Molecular formula
- C10H13F3IN
- Molecular weight
- 331.12
Names & synonyms
27389-57-73-(Trifluoromethyl)phenyltrimethylammonium IodideDTXSID00375341RefChem:1067245DTXCID20326370N,N,N-Trimethyl-3-(trifluoromethyl)benzenaminium iodidetrimethyl-[3-(trifluoromethyl)phenyl]azanium;iodideMFCD00059980N,N,N-trimethyl-3-(trifluoromethyl)anilinium iodidem-TFPTAIC10H13F3INorb2939084
Show more names
trifluoromethylphenyltrimethylammoniumiodide3-(TRIFLUOROMETHYL)PHENYLTRIMETHYLAMMONIUM ITRIMETHYL-3-TRIFLUOROMETHYLPHENYLAMMONIUM IODIDEm-TFPTAI Trimethyl-3-trifluoromethylphenylammonium Iodide
SCHEMBL2352844VKZIUXSJJSEBAK-UHFFFAOYSA-MTYD-01553AKOS015833368HY-W127663AS-69884SY074634CS-0185862
Database identifiers
- CAS
27389-57-7- PubChem CID
- 2760773
- DTXSID
DTXSID00375341
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 243 °C · 243 °C
- Water Solubility
- almost transparency in hot Water
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 27389 · 27389-57-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2923.9 · 2923.90.0100
Safety & regulation
Safety data
- hs_code
- 2923.90.0100
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN,N,N-Trimethyl-3-(trifluoromethyl)-benzenaminium Iodide is a useful research chemical used in the synthesis of quaternary ammonium compounds.
Suppliers36 total
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Related reactions
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