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Cromophtal Scarlet R (CGY) (3905-19-9)

Identification
Name:Cromophtal Scarlet R (CGY)
Synonyms:pigment red 166
CAS:3905-19-9
EINECS: 223-460-6
Molecular Formula: C40H24Cl4N6O4
Molecular Weight: 794.47
InChI: InChI=1/C40H24Cl4N6O4/c41-31-19-35(45-49-47-39(53)29-13-23-5-1-3-7-25(23)15-37(29)51)33(43)17-27(31)21-9-11-22(12-10-21)28-18-34(44)36(20-32(28)42)46-50-48-40(54)30-14-24-6-2-4-8-26(24)16-38(30)52/h1-20,51-52H,(H,45,47,53)(H,46,48,54)
Molecular Structure: (C40H24Cl4N6O4) pigment red 166
Properties
Flash Point: 499.6°C
Boiling Point: 902.5°Cat760mmHg
Density:1.5
Refractive index:1.72
Specification:

The Pigment Red 166 with the cas number 3905-19-9, is also called 4-(2,5-dichlorophenyl)azo-N-[4-[[4-(2,5-dichlorophenyl)azo-3-hydroxy-naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-naphthalene-2-carboxamide. the chemical belongs to the following product categories:(1)Dyes and Pigments; (2)Organics.

The properties of the chemical are: (1)ACD/LogP: 12.33; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 12.334; (4)ACD/LogD (pH 7.4): 12.334; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 148.1 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 209.192 cm3; (15)Molar Volume: 529.584 cm3; (16)Polarizability: 82.93×10-24cm3; (17)Surface Tension: 59.664 dyne/cm ; (18)Enthalpy of Vaporization: 133.985 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)cc(c(c2N=Nc3cc(ccc3Cl)Cl)O)C(=O)Nc4ccc(cc4)NC(=O)c5cc6ccccc6c(c5O)N=Nc7cc(ccc7Cl)Cl
(2)InChI: InChI=1/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)

Flash Point: 499.6°C
Safety Data
 

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