Molecule structure of C.I. Disperse Blue 35 (CAS NO.12222-75-2):

IUPAC Name: 1,5-Diamino-4,8-dihydroxy-2-(4-hydroxyphenyl)anthracene-9,10-dione 
Molecular Weight: 362.33556 g/mol
Molecular Formula: C₂₀H₁₄N₂O₅ 
Density: 1.616 g/cm³ 
Boiling Point: 758.9 °C at 760 mmHg 
Flash Point: 412.8 °C
Index of Refraction: 1.817
Molar Refractivity: 97.37 cm³
Molar Volume: 224.2 cm³
Surface Tension: 99.6 dyne/cm 
Enthalpy of Vaporization: 114.44 kJ/mol
Vapour Pressure: 7.68E-24 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 5
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Tautomer Count: 887
Exact Mass: 362.090272
MonoIsotopic Mass: 362.090272
Topological Polar Surface Area: 147
Heavy Atom Count: 27
Canonical SMILES: C1=CC(=CC=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O
InChI: InChI=1S/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2
InChIKey: OXLITIGRBOEDEZ-UHFFFAOYSA-N
Product Categories: 2002/61/EC; 67/548/EECMethod Specific; Stains and DyesMethod Specific; Analytical Reagents; European Community: ISO and DIN; Microscopy Reagents

Hazard Codes: Xi
Risk Statements: 43 
R43:May cause sensitization by skin contact.
Safety Statements: 36/37 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3

 C.I. Disperse Blue 35 (CAS NO.12222-75-2) is also named as Dispersol Navy B-T ; Polycron Dark Blue T ; Polycron Dark Blue TG ; Samaron Blue TR .