3-Chloro-4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}aniline
Basic information
- CAS
1211669-81-6- Standard SMILES
Nc1ccc(Oc2cccc(C(F)(F)F)n2)c(Cl)c1- InChIKey
AORPQZYAULKIOQ-UHFFFAOYSA-N- Molecular formula
- C12H8ClF3N2O
- Average molar mass
- 288.65 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}aniline
- IUPAC
- 3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
- English name
- 3-Chloro-4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}aniline
- Molecular formula
- C12H8ClF3N2O
- Molecular weight
- 288.65
Names & synonyms
3-Chloro-4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}aniline1211669-81-63-Chloro-4-{[6-(trifluoromethyl)-pyridin-2-yl]oxy}aniline3-chloro-4-[6-(trifluoromethyl)pyridin-2-yl]oxyaniline3-Chloro-4-((6-(trifluoromethyl)pyridin-2-yl)oxy)anilineMFCD11109516AKOS011050152AS-9879CS-04423153-Chloro-4-{[6-(trifluoromethyl)-2-pyridinyl]oxy}anilineBenzenamine, 3-chloro-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-
Database identifiers
- CAS
1211669-81-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 348.9 · 348.9±42.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.10(Predicted)
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
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Related reactions
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Compound notes
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