Disperse Blue 85

Molecule structure of Disperse Blue 85 (CAS NO.12222-83-2):

IUPAC Name: 2-[[4-(2-Chloro-4,6-dinitrophenyl)diazenylnaphthalen-1-yl]amino]ethanol 
Molecular Weight: 415.78726 g/mol
Molecular Formula: C₁₈H₁₄ClN₅O₅ 
Density: 1.55 g/cm³ 
Boiling Point: 677.7 °C at 760 mmHg 
Flash Point: 363.6 °C
Index of Refraction: 1.701
Molar Refractivity: 103.78 cm³
Molar Volume: 268.1 cm³
Surface Tension: 67.9 dyne/cm 
Enthalpy of Vaporization: 104.49 kJ/mol
Vapour Pressure: 2.73E-19 mmHg at 25 °C
XLogP3-AA: 4.5
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 415.068346
MonoIsotopic Mass: 415.068346
Topological Polar Surface Area: 143
Heavy Atom Count: 29
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])[N+](=O)[O-])NCCO
InChI: InChI=1S/C18H14ClN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2
InChIKey: DQMYXIPCBKSDCB-UHFFFAOYSA-N
EINECS of Disperse Blue 85 (CAS NO.12222-83-2): 221-649-8

 Disperse Blue 85 (CAS NO.12222-83-2) is also named as 4-(2-Hydroxyethyl)amino-2'-chloro-4',6'-dinitro-1-naphthaleneazobenzene ; 2-((4-((2-Chloro-4,6-dinitrophenyl)azo)-1-naphthyl)amino)ethanol ; 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)- ;
3177-13-7 .