3-Chloro-4-(2-chlorophenoxy)aniline
Basic information
- CAS
56966-54-2- Standard SMILES
Nc1ccc(Oc2ccccc2Cl)c(Cl)c1- InChIKey
YYADBYCIGQCOFE-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO
- Average molar mass
- 254.11 g/mol
- Monoisotopic mass
- 253.0061193
Names & identifiers
- Preferred name
- 3-Chloro-4-(2-chlorophenoxy)aniline
- IUPAC
- 3-chloro-4-(2-chlorophenoxy)aniline
- English name
- 3-Chloro-4-(2-chlorophenoxy)aniline
- Molecular formula
- C12H9Cl2NO
- Molecular weight
- 254.11
Names & synonyms
3-chloro-4-(2-chlorophenoxy)aniline56966-54-2MFCD073651233-Chloro-4-(2-chlorophenoxy)benzenamine3-Chloro-4-(2-chlorophenoxy)phenylamineBenzenamine, 3-chloro-4-(2-chlorophenoxy)-NCIOpen2_003938SCHEMBL632218DTXSID80328971SBB014050STK501053AKOS000100274
Show more names
LS-02073SY082507[3-chloro-4-(2-chlorophenoxy)phenyl]amineST4139976CS-0319817E84017F366527
Database identifiers
- CAS
56966-54-2- PubChem CID
- 415969
- DTXSID
DTXSID80328971
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 347.7 · 347.7±42.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 3 · 3+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…