CAS No.27908-75-4,Solvent Yellow 157 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27908-75-4
Name:	Solvent Yellow 157
Article Data:	5

Formula:	C₁₈H₇Cl₄NO₂
Molecular Weight:	411.071
Synonyms:	1,3-Indandione,4,5,6,7-tetrachloro-2-(2-quinolyl)- (8CI);
Density:	1.639 g/cm³
Melting Point:	>350 °C(Solv: ethanol (64-17-5))
Boiling Point:	624.161 °C at 760 mmHg
Flash Point:	331.281 °C
PSA:	47.03000
LogP:	6.01120

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Specification

The Solvent Yellow 157, with the CAS registry number 27908-75-4, is also known as Synonyms 4,5,6,7-Tetrachloro-2-(2-quinolyl)-1,3-indandione. It belongs to the product category of Solvent Dyestuff. This chemical's molecular formula is C₁₈H₇Cl₄NO₂ and molecular weight is 411.07. What's more, its systematic name is called 4,5,6,7-Tetrachloro-2-(2-quinolinyl)-1H-indene-1,3(2H)-dione.

Physical properties about Solvent Yellow 157 are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 9.36; (6)ACD/BCF (pH 7.4): 9.36; (7)ACD/KOC (pH 5.5): 33.59; (8)ACD/KOC (pH 7.4): 33.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.03 Å²; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 98.646 cm³; (15)Molar Volume: 250.846 cm³; (16)Polarizability: 39.106×10^-24cm³; (17)Surface Tension: 69.262 dyne/cm; (18)Density: 1.639 g/cm³; (19)Flash Point: 331.281 °C; (20)Enthalpy of Vaporization: 92.432 kJ/mol; (21)Boiling Point: 624.161 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)C4c2ccc3ccccc3n2
(2) InChI: InChI=1S/C18H7Cl4NO2/c19-13-11-12(14(20)16(22)15(13)21)18(25)10(17(11)24)9-6-5-7-3-1-2-4-8(7)23-9/h1-6,10H
(3) InChIKey: FTQURCYYMGCGDB-UHFFFAOYSA-N