4-[(3-chlorophenyl)diazenyl]-N,N-diethylaniline
Basic information
- CAS
20691-87-6- Standard SMILES
CCN(CC)c1ccc(N=Nc2cccc(Cl)c2)cc1- InChIKey
VHOBVIOLVNXAEQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3
- Average molar mass
- 287.79 g/mol
- Monoisotopic mass
- 287.1189253
Overview
See also: 4-(3-Chlorophenylazo)-N,N-diethylaniline (annotation moved to).
Names & identifiers
- Preferred name
- 4-[(3-chlorophenyl)diazenyl]-N,N-diethylaniline
- IUPAC
- 4-[(3-chlorophenyl)diazenyl]-N,N-diethylaniline
- English name
- 4-(3-Chlorophenylazo)-N,N-diethylaniline
- Molecular formula
- C16H18ClN3
- Molecular weight
- 287.79
Names & synonyms
4-[(3-chlorophenyl)diazenyl]-N,N-diethylaniline20691-87-6DTXSID2010374884-[(E)-(3-chlorophenyl)diazenyl]-N,N-diethylaniline4-(3-Chlorophenylazo)-N,N-diethylanilineBenzenamine, 4-[2-(3-chlorophenyl)diazenyl]-N,N-diethyl-
Database identifiers
- CAS
20691-87-6- PubChem CID
- 5229913
- DTXSID
DTXSID201037488- Nikkaji
- J438.165C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 428.2 · 428.2±30.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H413-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 statements
- H302-H315-H413-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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