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Basic Information
CAS No.: 61968-29-4
Name: Disperse Blue 148
Molecular Structure:
Molecular Structure of 61968-29-4 (Disperse Blue 148)
Formula: C19H19N5O4S
Molecular Weight: 413.45026
Synonyms: Disperse Navy Blue 3RT;Polyester Blue 3RT;Chemilene Dark Blue 3RT;Dark Blue 3RN;Disperse Blue 3RT;Kiwalon Polyester Blue D3R;Miketon Polyester Blue 3RT;Ostacet Blue SE-2R
PSA: 141.21000
LogP: 5.53250
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Chemistry

Molecule structure of Disperse Blue 148 (CAS NO.61968-29-4):

IUPAC Name: Methyl 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]propanoate 
Molecular Weight: 413.45026 g/mol
Molecular Formula: C19H19N5O4S 
Density: 1.38 g/cm3 
Boiling Point: 597.5 °C at 760 mmHg 
Flash Point: 315.2 °C
Index of Refraction: 1.662
Molar Refractivity: 110.92 cm3
Molar Volume: 299.5 cm3
Surface Tension: 56.6 dyne/cm
Enthalpy of Vaporization: 89 kJ/mol
Vapour Pressure: 3.05E-14 mmHg at 25 °C
XLogP3-AA: 4.6
H-Bond Acceptor: 8
Rotatable Bond Count: 8
Exact Mass: 413.115775
MonoIsotopic Mass: 413.115775
Topological Polar Surface Area: 110
Heavy Atom Count: 29
Canonical SMILES: CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
InChI: InChI=1S/C19H19N5O4S/c1-3-23(11-10-18(25)28-2)14-6-4-13(5-7-14)20-21-19-16-12-15(24(26)27)8-9-17(16)22-29-19/h4-9,12H,3,10-11H2,1-2H3
InChIKey: VHLFTCNAACYPDY-UHFFFAOYSA-N
EINECS: 257-779-7
Product Categories of Disperse Blue 148 (CAS NO.61968-29-4): Organics

Specification

 Disperse Blue 148 (CAS NO.61968-29-4) is also named as Methyl N-ethyl-N-(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)-beta-alaninate ; beta-Alanine, N-ethyl-N-(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)-, methyl ester ; beta-Alanine, N-ethyl-N-(4-(2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl)phenyl)-, methyl ester ; 52239-04-0 .