4-(2,4,6-Trichlorophenoxy)aniline
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Basic information
- CAS
26306-61-6- Standard SMILES
Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1- InChIKey
YDIXMXKRLYKJJM-UHFFFAOYSA-N- Molecular formula
- C12H8Cl3NO
- Average molar mass
- 288.6 g/mol
- Monoisotopic mass
- 286.967147
Names & identifiers
- Preferred name
- 4-(2,4,6-Trichlorophenoxy)aniline
- IUPAC
- 4-(2,4,6-trichlorophenoxy)aniline
- English name
- 4-(2,4,6-Trichlorophenoxy)aniline
- Molecular formula
- C12H8Cl3NO
- Molecular weight
- 288.56
Names & synonyms
4-(2,4,6-trichlorophenoxy)aniline26306-61-62,4,6-Trichlorophenyl-4'-aminophenyl etherDTXSID20180919CNP-aminoRefChem:912030DTXCID10103410Amino-chlornitrofenBenzenamine, 4-(2,4,6-trichlorophenoxy)-CCRIS 74974-(2,4,6-Trichlorophenoxy)benzenamineBRN 2745511
Show more names
CNP-AMINO STANDARDCHLORNITROFEN-AMINOCHLORNITROFEN AMINO FORMCNP-amino Reference Materialp-(2,4,6-Trichlorophenoxy)anilinep-(2,4,6-trichlorophenoxy)-anilin2’,4’,6’-trichloro-4-aminobiphenylether
2',4',6'-Trichloro-4-aminobiphenyl etherANILINE, p-(2,4,6-TRICHLOROPHENOXY)-SCHEMBL8945699MFCD00673678Chlornitrofen-amino 100 |Ig/mL in CyclohexaneChlornitrofen-amino 100 microg/mL in CyclohexaneQ63396128
Database identifiers
- CAS
26306-61-6- PubChem CID
- 33473
- DTXSID
DTXSID20180919- Nikkaji
- J60.440B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 105 · 105~109℃
- Boiling point
- 369.2 · 369.2±42.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- pka
- 4.48 · 4.48±0.10(Predicted)
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Compound notes
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