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12223-01-7

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Basic Information
CAS No.: 12223-01-7
Name: DISPERSE BLUE 106
Molecular Structure:
Molecular Structure of 12223-01-7 (DISPERSE BLUE 106)
Formula: C14H17N5O3S
Molecular Weight: 335.38148
Synonyms: C.I.Disperseblue106;Disperse Blue CR;Disperse Blue RD;Discharge Blue R
EINECS: 271-183-4
Density: 1.38g/cm3
Boiling Point: 550.8°C at 760 mmHg
Flash Point: 286.9°C
Hazard Symbols: Xi
Risk Codes: 43
Safety: 36/37
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Chemistry

Molecule structure of Disperse Blue 106 (CAS NO.12223-01-7):

IUPAC Name: 2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethanol 
Molecular Weight: 335.38148 g/mol
Molecular Formula: C14H17N5O3S 
Density: 1.38 g/cm3 
Boiling Point: 550.8 °C at 760 mmHg 
Flash Point: 286.9 °C
Index of Refraction: 1.659
Molar Refractivity: 89.03 cm3
Molar Volume: 241.3 cm3
Surface Tension: 57.4 dyne/cm 
Enthalpy of Vaporization: 87.45 kJ/mol
Vapour Pressure: 5.74E-13 mmHg at 25 °C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 6
Exact Mass: 335.10521
MonoIsotopic Mass: 335.10521
Topological Polar Surface Area: 104
Heavy Atom Count: 23
Canonical SMILES: CCN(CCO)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C
InChI: InChI=1S/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3
InChIKey: UIHYHADQHHUIOF-UHFFFAOYSA-N
Product Categories: Dyes and Pigments

Uses

 Disperse Blue 106 (CAS NO.12223-01-7) is used for dyeing and printing of polyester and blended fabrics.

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: 2

Specification

 Disperse Blue 106 (CAS NO.12223-01-7) is also named as 2-(Ethyl(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)amino)ethanol ; C.I. Disperse Blue 106 ; Ethanol, 2-(ethyl(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)amino)- .