Basic information
- CAS
72928-16-6- Standard SMILES
Cc1cc(N(CCO)CCC#N)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl- InChIKey
FTGDWORKLZCBFJ-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2N5O3
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 421.0708448
Names & identifiers
- Preferred name
- Propanenitrile, 3-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)-3-methylphenyl)(2-hydroxyethyl)amino)-
- IUPAC
- 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
- English name
- 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propiononitrile
- Molecular formula
- C18H17Cl2N5O3
- Molecular weight
- 422.27
Names & synonyms
EINECS 277-054-9Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-DTXSID30726603-((4-((2,6-Dichloro-4-nitrophenyl)azo)-3-methylphenyl)(2-hydroxyethyl)amino)propane nitrilePropanenitrile, 3-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)(2-hydroxyethyl)amino)-Propanenitrile, 3-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)-3-methylphenyl)(2-hydroxyethyl)amino)-Propanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-RefChem:869053DTXCID904741372928-16-6FTGDWORKLZCBFJ-UHFFFAOYSA-NNS00037436
Show more names
2,6-Dichloro-2'-methyl-4'-[(2-hydroxyethyl)(2-cyanoethyl)amino]-4-nitroazobenzene2-[N-(2-Cyanoethyl)-N-[4-(2,6-dichloro-4-nitrophenylazo)-3-methylphenyl]amino]ethanol3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]propiononitrilePropanenitrile,3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Boiling point
- 663.143 · 663.143±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.395 · 1.395±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.54 · 14.540±0.10(predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]- (72928-16-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[[4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylphenyl](2-hydroxyethyl)amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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