1-(3-Chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
886370-61-2- Standard SMILES
NC(c1cc(F)cc(Cl)c1)C(F)(F)F- InChIKey
NNVGSEBZNLFMOX-UHFFFAOYSA-N- Molecular formula
- C8H6ClF4N
- Average molar mass
- 227.58 g/mol
- Monoisotopic mass
- 227.0124895
Names & identifiers
- Preferred name
- 1-(3-Chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine
- IUPAC
- 1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine
- English name
- 1-(3-CHLORO-5-FLUORO-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE
- Molecular formula
- C8H6ClF4N
- Molecular weight
- 227.5865528
Names & synonyms
886370-61-21-(3-CHLORO-5-FLUOROPHENYL)-2,2,2-TRIFLUOROETHANAMINE1-(3-CHLORO-5-FLUORO-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE1-(3-CHLORO-5-FLUOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-AMINEMFCD07374778SCHEMBL12495808NNVGSEBZNLFMOX-UHFFFAOYSA-NAKOS015925354AB40381AB40382AB40385DS-19594
Show more names
1-(2,3-dichloro-4-methoxyphenyl)ethan-1-amine3-Chloro-5-fluoro-α-(trifluoromethyl)benzenemethanamineBenzenemethanamine, 3-chloro-5-fluoro-α-(trifluoromethyl)-
DB-300519CS-0130107N11028EN300-1938554F5142541-(3-chloro-5-fluoro-phenyl)-2,2,2-trifluoro-ethanamine(1R)-1-(5-CHLORO-3-FLUOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
Database identifiers
- CAS
886370-61-2- PubChem CID
- 66511352
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 222 · 222.0±40.0 °C(Predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 5.6 · 5.60±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…