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12222-75-2

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Basic Information
CAS No.: 12222-75-2
Name: DISPERSE BLUE 35
Molecular Structure:
Molecular Structure of 12222-75-2 (DISPERSE BLUE 35)
Formula: C20H14N2O5
Molecular Weight: 284.27
Synonyms: DisperseBlue 35;Dispersol Navy B-T;Navilene Navy BT;Samaron Blue TR;Serilene DarkBlue R;
EINECS: 237-269-0
Density: 1.616 g/cm3
Boiling Point: 758.9 °C at 760 mmHg
Flash Point: 412.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 36/37
PSA: 0.00000
LogP: 0.00000
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Chemistry

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

Safety Profile

Hazard Codes: IrritantXi
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

Specification

 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 .