C.I. Disperse Red 179 supplier

Name
Disperse Red 179
EINECS
CAS No. 61951-64-2
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₈N₆O₂S
Boiling Point 634.3 °C at 760 mmHg
Molecular Weight 394.457
Flash Point 337.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[ethyl-[3-methyl-4-(6-nitrobenzothiazol-2-yl)diazenyl-phenyl]amino]propanenitrile;
PSA 139.12000
LogP -2.01220

C.I. Disperse Red 179 Specification

This chemical is called C.I. Disperse Red 179, and its systematic name is 3-(ethyl{3-methyl-4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino)propanenitrile. With the molecular formula of C₁₉H₁₈N₆O₂S, its molecular weight is 410.45. The CAS registry number of this chemical is 61951-64-2.

Other characteristics of the C.I. Disperse Red 179 can be summarised as followings: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 3987.92; (6)ACD/BCF (pH 7.4): 3988.23; (7)ACD/KOC (pH 5.5): 13152.19; (8)ACD/KOC (pH 7.4): 13153.21; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 138.7 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 110.59 cm³; (15)Molar Volume: 292.6 cm³; (16)Polarizability: 43.84×10^-24cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 337.4 °C; (20)Enthalpy of Vaporization: 93.75 kJ/mol; (21)Boiling Point: 634.3 °C at 760 mmHg; (22)Vapour Pressure: 5.41E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2ccc3nc(/N=N/c1ccc(N(CC)CCC#N)cc1C)sc3c2
2.InChI: InChI=1/C19H18N6O2S/c1-3-24(10-4-9-20)14-5-7-16(13(2)11-14)22-23-19-21-17-8-6-15(25(26)27)12-18(17)28-19/h5-8,11-12H,3-4,10H2,1-2H3/b23-22+ 3.InChIKey: WYHKEXCMJQVTSP-GHVJWSGMBP

Product Name

Disperse Red 179

C.I. Disperse Red 179 Specification

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