Basic information
- CAS
946727-54-4- Standard SMILES
Cc1cc(Oc2c(N)cccc2Cl)cc(C)c1Cl- InChIKey
XJTNQWXGZYMDIP-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2NO
- Average molar mass
- 282.2 g/mol
- Monoisotopic mass
- 281.0374194
Names & identifiers
- Preferred name
- 3-Chloro-2-(4-chloro-3,5-dimethylphenoxy)aniline
- IUPAC
- 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)aniline
- English name
- 3-CHLORO-2-(4-CHLORO-3,5-DIMETHYLPHENOXY)ANILINE
- Molecular formula
- C14H13Cl2NO
- Molecular weight
- 282.17
Names & synonyms
3-CHLORO-2-(4-CHLORO-3,5-DIMETHYLPHENOXY)ANILINE946727-54-4AKOS005931253SB82529Benzenamine, 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)-
Database identifiers
- CAS
946727-54-4- PubChem CID
- 26189209
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 364.4 · 364.4±42.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- pka
- 3.01 · 3.01±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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