4-(2-Furylmethoxy)-3-(trifluoromethyl)aniline
Basic information
- CAS
946662-72-2- Standard SMILES
Nc1ccc(OCc2ccco2)c(C(F)(F)F)c1- InChIKey
QOEYYHHPNDDOOB-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO2
- Average molar mass
- 257.21 g/mol
- Monoisotopic mass
- 257.06636305
Names & identifiers
- Preferred name
- 4-(2-Furylmethoxy)-3-(trifluoromethyl)aniline
- IUPAC
- 4-(furan-2-ylmethoxy)-3-(trifluoromethyl)aniline
- English name
- 4-(2-FURYLMETHOXY)-3-(TRIFLUOROMETHYL)ANILINE
- Molecular formula
- C12H10F3NO2
- Molecular weight
- 257.21
Names & synonyms
4-(2-FURYLMETHOXY)-3-(TRIFLUOROMETHYL)ANILINE4-(furan-2-ylmethoxy)-3-(trifluoromethyl)aniline946662-72-2AKOS005935944Benzenamine, 4-(2-furanylmethoxy)-3-(trifluoromethyl)-
Database identifiers
- CAS
946662-72-2- PubChem CID
- 26189755
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 349.9 · 349.9±42.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 3.8 · 3.80±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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