4-(4-Chloro-3-methylphenoxy)-2-(trifluoromethyl)aniline
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Basic information
- CAS
946741-39-5- Standard SMILES
Cc1cc(Oc2ccc(N)c(C(F)(F)F)c2)ccc1Cl- InChIKey
OUZGDXDLIWDKBD-UHFFFAOYSA-N- Molecular formula
- C14H11ClF3NO
- Average molar mass
- 301.69 g/mol
- Monoisotopic mass
- 301.0481262
Names & identifiers
- Preferred name
- 4-(4-Chloro-3-methylphenoxy)-2-(trifluoromethyl)aniline
- IUPAC
- 4-(4-chloro-3-methylphenoxy)-2-(trifluoromethyl)aniline
- English name
- 4-(4-CHLORO-3-METHYLPHENOXY)-2-(TRIFLUOROMETHYL)-PHENYLAMINE
- Molecular formula
- C14H11ClF3NO
- Molecular weight
- 301.69
Names & synonyms
4-(4-chloro-3-methylphenoxy)-2-(trifluoromethyl)aniline946741-39-54-(4-CHLORO-3-METHYLPHENOXY)-2-(TRIFLUOROMETHYL)-PHENYLAMINEWMB74139AKOS009173833SB83034CS-0257524EN300-6735203Benzenamine, 4-(4-chloro-3-methylphenoxy)-2-(trifluoromethyl)-
Database identifiers
- CAS
946741-39-5- PubChem CID
- 26189946
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 361.1 · 361.1±42.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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