Disperse Blue 1

Molecule structure of Disperse Blue 1 (CAS NO.2475-45-8):

IUPAC Name: 1,4,5,8-Tetraamino-9,10-anthraquinone 
Molecular Formula: C₁₄H₁₂N4O₂                                 
Molecular Weight: 268.27 g/mol
Stability: Stable.Combustible.Incompatible with strong oxidizing agents
Index of Refraction: 1.857 
EINECS: 219-603-7
Density: 1.595 g/ml 
Flash Point: 384.3 °C
Boiling Point: 711.9 °C at 760 mmHg 
Melting Point: 332 °C
Molar Refractivity: 75.61 cm³
Molar Volume: 168.1 cm³
Surface Tension: 111.5 dyne/cm 
XLogP3-AA: 1.2
H-Bond Donor: 4
H-Bond Acceptor: 6
Tautomer Count: 52
Exact Mass: 268.096026
MonoIsotopic Mass: 268.096026
Topological Polar Surface Area: 138
Heavy Atom Count: 20 
Canonical SMILES: C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N
InChI: InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
InChIKey: JSFUMBWFPQSADC-UHFFFAOYSA-N
Classification Code: Mutation data; Tumor data

NTP 10th Report on Carcinogens. NTP Carcinogenesis Studies (feed); Equivocal Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-299-86 . ; (feed); Clear Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-299 ,1986. . Reported in EPA TSCA Inventory.

Hazard Codes: T
Risk Statements: 45-38-41-43 
R45:May cause cancer. 
R38:Irritating to skin. 
R41:Risk of serious damage to the eyes. 
R43:May cause sensitization by skin contact.
Safety Statements: 53-45 
S53:Avoid exposure - obtain special instructions before use. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: CB0540000
Confirmed carcinogen with experimental carcinogenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

 Disperse Blue 1 (CAS NO.2475-45-8) is also named as 1,4,5,8-Tetraamino-9,10-anthracenedione ; 1,4,5,8-Tetraaminoanthraquinone ; 1,4,5,8-Tetraminoanthraquinone ; 4-14-00-00487 (Beilstein Handbook Reference) ; 9,10-Anthracenedione, 1,4,5,8-tetraamino- ; Acetate Blue 6 ; Acetate Blue G ; Acetoquinone Blue L ; Acetoquinone Blue R ; Acetylon Fast Blue G ; C.I. 64500 ; C.I. Disperse Blue 1 ; C.I. Solvent Blue 18 ; CI Solvent Blue 18 ; Celanthrene Pure Blue BRS ; Celliton Blue BB-CF ; Celliton Blue Extra ; Celliton Blue G ; Fenacet Blue G ; Grasol Blue 2GS ; Serinyl Blue 3G ; Serinyl Blue 3GN ; Setacyl Blue 2GS ; Supracet Deep Blue R . Disperse Blue 1 (CAS NO.2475-45-8) is blue-black crystalline powder. It is insoluble in water. Disperse Blue 1 is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. When heated to decomposition Disperse Blue 1 emits toxic fumes of nitrogen oxides. Flash point data for Disperse Blue 1 are not available; however, it is probably combustible.