Basic information
- CAS
893754-18-2- Standard SMILES
Cc1cccc(Oc2ccc(N)cc2Cl)c1C- InChIKey
KHZRTBBNWRNTRB-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4-(2,3-dimethylphenoxy)aniline
- IUPAC
- 3-chloro-4-(2,3-dimethylphenoxy)aniline
- English name
- 3-Chloro-4-(2,3-dimethylphenoxy)aniline
- Molecular formula
- C14H14ClNO
- Molecular weight
- 247.72
Names & synonyms
3-CHLORO-4-(2,3-DIMETHYLPHENOXY)ANILINE893754-18-2AKOS0041200573-Chloro-4-(2,3-dimethylphenoxy)benzenamineBenzenamine, 3-chloro-4-(2,3-dimethylphenoxy)-
Database identifiers
- CAS
893754-18-2
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 248
Physicochemical properties
- Boiling point
- 360.7 · 360.7±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 3.73 · 3.73±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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