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Disperse Red 177

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Name

Disperse Red 177

EINECS 268-697-6
CAS No. 58051-98-2 Density 1.39 g/cm3
PSA 165.00000 LogP 5.42628
Solubility N/A Melting Point N/A
Formula C20H18N6O4S Boiling Point 665.8 °C at 760 mmHg
Molecular Weight 438.46 Flash Point 356.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58051-98-2 (Disperse Red 177) Hazard Symbols N/A
Synonyms

2-(4-(N-Cyanoethyl-N-(acetoxyethyl)amino)phenylazo)-6-nitrobenzothiazole;2-((2-cyanoethyl)(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl acetate;Disperse red 177 (C.I. 11122);Red FRL;C.I.Disperse Red 177;Latyl Red KC;

 

Disperse Red 177 Specification

The Disperse Red 177, with CAS registry number 58051-98-2, has the systematic name of 2-[(2-cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate. And the chemical formula of this chemical is C20H18N6O4S. The main use of this chemical is for the dyeing and printing of polyester fabric and its blending.

Physical properties of Disperse Red 177: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 656.56; (6)ACD/BCF (pH 7.4): 656.58; (7)ACD/KOC (pH 5.5): 3615.8; (8)ACD/KOC (pH 7.4): 3615.92; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 165 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 117.63 cm3; (15)Molar Volume: 313.2 cm3; (16)Polarizability: 46.63×10-24cm3; (17)Surface Tension: 60.8 dyne/cm; (18)Enthalpy of Vaporization: 97.89 kJ/mol; (19)Vapour Pressure: 1.36E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCN(c3ccc(/N=N/c1nc2ccc(cc2s1)[N+]([O-])=O)cc3)CCOC(=O)C
(2)InChI: InChI=1/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3/b24-23+
(3)InChIKey: ZNUBBVSUTSNSIM-WCWDXBQEBC
(4)Std. InChI: InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3/b24-23+
(5)Std. InChIKey: ZNUBBVSUTSNSIM-WCWDXBQESA-N

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