Basic information
- CAS
946727-75-9- Standard SMILES
Nc1cc(Cl)ccc1Oc1ccccc1-c1ccccc1- InChIKey
VXBFTGQNJTYPAP-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.0763918
Names & identifiers
- Preferred name
- 2-([1,1'-Biphenyl]-2-yloxy)-5-chloroaniline
- IUPAC
- 5-chloro-2-(2-phenylphenoxy)aniline
- English name
- 2-([1,1'-BIPHENYL]-2-YLOXY)-5-CHLOROANILINE
- Molecular formula
- C18H14ClNO
- Molecular weight
- 295.76
Names & synonyms
2-([1,1'-Biphenyl]-2-yloxy)-5-chloroaniline5-chloro-2-(2-phenylphenoxy)aniline946727-75-92-{[1,1'-biphenyl]-2-yloxy}-5-chloroaniline2-([1,1-biphenyl]-2-yloxy)-5-chloroanilineAKOS009173005Benzenamine, 2-([1,1'-biphenyl]-2-yloxy)-5-chloro-
Database identifiers
- CAS
946727-75-9- PubChem CID
- 26189288
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 429.6 · 429.6±40.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±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
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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