4-(3,4-Dichlorophenoxy)aniline
Basic information
- CAS
67651-53-0- Standard SMILES
Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1- InChIKey
BRHDZZRNYSNPSO-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO
- Average molar mass
- 254.11 g/mol
- Monoisotopic mass
- 253.0061193
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenoxy)aniline
- IUPAC
- 4-(3,4-dichlorophenoxy)aniline
- English name
- 4-(3,4-DICHLOROPHENOXY)ANILINE
- Molecular formula
- C12H9Cl2NO
- Molecular weight
- 254.11
Names & synonyms
4-(3,4-Dichlorophenoxy)aniline67651-53-0MFCD00459613SCHEMBL632533SCHEMBL31287824DTXSID30504142BRHDZZRNYSNPSO-UHFFFAOYSA-N4-(3,4-Dichlorophenoxy)benzenamineAKOS009159009PS-7433DB-112768CS-0454805
Show more names
4-Amino-3',4'-dichlorodiphenyl etherBENZENAMINE, 4-(3,4-DICHLOROPHENOXY)-
F78831F775381
Database identifiers
- CAS
67651-53-0- PubChem CID
- 12604367
- DTXSID
DTXSID30504142
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
- 219
Physicochemical properties
- Melting point
- 68.7 · 68.7-70.3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Irritant
- HS Code
- 2921420090 · 2921420090
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
- hs_code
- 2921420090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Suppliers
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Related reactions
2 records
Compound notes
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