Basic information
- CAS
3177-13-7- Standard SMILES
O=[N+]([O-])c1cc(Cl)c(N=Nc2ccc(NCCO)c3ccccc23)c([N+](=O)[O-])c1- InChIKey
DQMYXIPCBKSDCB-UHFFFAOYSA-N- Molecular formula
- C18H14ClN5O5
- Average molar mass
- 415.8 g/mol
- Monoisotopic mass
- 415.0683463
Names & identifiers
- Preferred name
- Ethanol, 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-
- IUPAC
- 2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol
- English name
- 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethanol
- Molecular formula
- C18H14ClN5O5
- Molecular weight
- 415.79
Names & synonyms
Ethanol, 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-Ethanol, 2-((4-((2-chloro-4,6-dinitrophenyl)azo)-1-naphthalenyl)amino)-Ethanol, 2-((4-(2-(2-chloro-4,6-dinitrophenyl)diazenyl)-1-naphthalenyl)amino)-Ethanol, 2-[[4-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]-RefChem:592134Ethanol, 2-4-(2-chloro-4,6-dinitrophenyl)azo-1-naphthalenylamino-Disperse Blue 853177-13-72-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthyl]amino]ethanol2-[[4-[(2-chloro-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol2-((4-((2-Chloro-4,6-dinitrophenyl)azo)-1-naphthyl)amino)ethanol2-4-(2-Chloro-4,6-dinitrophenyl)azo-1-naphthylaminoethanol
Show more names
DQMYXIPCBKSDCB-QURGRASLSA-NDisperse blue 85 (C.I. 11370)2-[[4-[(2-Chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]ethanol
C.I. Disperse Blue 85DQMYXIPCBKSDCB-UHFFFAOYSA-NEINECS 221-649-812222-83-2orb2566445DTXSID5062891SCHEMBL15279788SCHEMBL30341077
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 677.7 · 677.7±55.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 14.63 · 14.63±0.10(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]- (3177-13-7)
- 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 Information
Chemical: Ethanol, 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-
Ethanol, 2-4-(2-chloro-4,6-dinitrophenyl)azo-1-naphthalenylamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Ethanol, 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[[4-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]-: INACTIVE
Applications
UsesDisperse Blue 85 is an azo dyes and a pigment used in the dyeing and printing of textiles materials.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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