Basic information
- CAS
70198-17-3- Standard SMILES
CCN(CCOC(C)=O)c1ccc(N=Nc2nc3ccc(Cl)cc3s2)cc1- InChIKey
ULNIIFVEDJYBOZ-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4O2S
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.0917247
Names & identifiers
- Preferred name
- Ethanol, 2-((4-(2-(6-chloro-2-benzothiazolyl)diazenyl)phenyl)ethylamino)-, 1-acetate
- IUPAC
- 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethylanilino]ethyl acetate
- English name
- 2-[[4-[(6-chlorobenzothiazol-2-yl)azo]phenyl]ethylamino]ethyl acetate
- Molecular formula
- C19H19ClN4O2S
- Molecular weight
- 402.9
Names & synonyms
EINECS 274-375-6DTXSID80720392-(2-(4-(6-Chloro-2-benzothiazolylazo)phenyl)ethylamino)ethyl acetate4-((6-Chloro-2-benzothiazolyl)azo)-N-ethyl-N-(2-acetoxyethyl)aniline2-((4-((6-Chloro-2-benzothiazolyl)azo)phenyl)ethylamino)ethanol acetate (ester)Ethanol, 2-((4-((6-chloro-2-benzothiazolyl)azo)phenyl)ethylamino)-, acetate (ester)Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester)Ethanol, 2-((4-(2-(6-chloro-2-benzothiazolyl)diazenyl)phenyl)ethylamino)-, 1-acetateEthanol, 2-[[4-[2-(6-chloro-2-benzothiazolyl)diazenyl]phenyl]ethylamino]-, 1-acetateRefChem:592148DTXCID104663770198-17-3
Show more names
2-[[4-[(6-chlorobenzothiazol-2-yl)azo]phenyl]ethylamino]ethyl acetateAcetic acid 2-[4-(6-chlorobenzothiazol-2-ylazo)phenyl(ethyl)amino]ethyl ester
ULNIIFVEDJYBOZ-UHFFFAOYSA-N2-((4-((6-Chlorobenzothiazol-2-yl)azo)phenyl)ethylamino)ethyl acetateNS000370152-[{4-[(6-Chloro-1,3-benzothiazol-2-yl)diazenyl]phenyl}(ethyl)amino]ethyl acetate
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 550.754 · 550.754±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.327 · 1.327±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.42 · 2.420±0.50(predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester) (70198-17-3)
- 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: Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester)
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 InformationEthanol, 2-[[4-[2-(6-chloro-2-benzothiazolyl)diazenyl]phenyl]ethylamino]-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…