Pentakis(trifluoromethyl)aniline
Basic information
- CAS
58956-76-6- Standard SMILES
Nc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F- InChIKey
CMRZEKXRBBEZIP-UHFFFAOYSA-N- Molecular formula
- C11H2F15N
- Average molar mass
- 433.12 g/mol
- Monoisotopic mass
- 432.9947715
Names & identifiers
- Preferred name
- Pentakis(trifluoromethyl)aniline
- IUPAC
- 2,3,4,5,6-pentakis(trifluoromethyl)aniline
- English name
- 2,3,4,5,6-Pentakis(trifluoromethyl)aniline
- Molecular formula
- C11H2F15N
- Molecular weight
- 433.12
Names & synonyms
pentakis(trifluoromethyl)aniline58956-76-6DTXSID20663095RefChem:368013DTXCID306138442,3,4,5,6-Pentakis(trifluoromethyl)anilineSCHEMBL25012674C11H2F15NCMRZEKXRBBEZIP-UHFFFAOYSA-NMFCD07779531AKOS005259284Benzenamine, 2,3,4,5,6-pentakis(trifluoromethyl)-
Database identifiers
- CAS
58956-76-6- PubChem CID
- 45075698
- DTXSID
DTXSID20663095- Nikkaji
- J2.600.177C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 168.6 · 168.6±40.0 °C(Predicted)
- Density
- 1.67 · 1.670±0.06 g/cm3(Predicted)
- pka
- -5.52 · -5.52±0.23(Predicted)
- HS Code
- 2921490090 · 2921490090
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
- 2921490090
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Related reactions
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Compound notes
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