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6407-80-3

Basic Information
CAS No.: 6407-80-3
Name: Solvent Yellow 18
Article Data: 5
Molecular Structure:
Molecular Structure of 6407-80-3 (Solvent Yellow 18)
Formula: C15H11N3O2
Molecular Weight: 265.271
Synonyms: 2(1H)-Quinolinone,4-hydroxy-3-(phenylazo)- (9CI);C.I. Disperse Yellow 4 (7CI,8CI);2,4-Dihydroxy-3-phenylazoquinoline;Acetate Fast Yellow 3G;C.I. 12770;C.I.Solvent Yellow 17;Dispersol Yellow 3G;Miketon Discharge Yellow 3G;OrasolYellow 3G;Serisol Printing Yellow 3G;
EINECS: 229-044-0
Density: 1.34 g/cm3
Boiling Point: 482.2 °C at 760 mmHg
Flash Point: 245.4 °C
PSA: 77.81000
LogP: 3.64910
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Specification

The 2(1H)-Quinolinone,4-hydroxy-3-(2-phenyldiazenyl)-, with the CAS registry number 6407-80-3, is also known as 4-Hydroxy-3-(phenylazo)-2-quinolone. It belongs to the product categories of Organics; Solvent Dyestuff. Its EINECS registry number is 229-044-0. This chemical's molecular formula is C15H11N3O2 and molecular weight is 265.26674. Its IUPAC name is called (3Z)-3-(phenylhydrazinylidene)-1H-quinoline-2,4-dione.

Physical properties of 2(1H)-Quinolinone,4-hydroxy-3-(2-phenyldiazenyl)-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.45; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.684; (9)Molar Refractivity: 74.89 cm3; (10)Molar Volume: 197.2 cm3; (11)Surface Tension: 56 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 245.4 °C; (14)Enthalpy of Vaporization: 78.68 kJ/mol; (15)Boiling Point: 482.2 °C at 760 mmHg; (16)Vapour Pressure: 4.16E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NN=C2C(=O)C3=CC=CC=C3NC2=O
(2)Isomeric SMILES: C1=CC=C(C=C1)N/N=C\2/C(=O)C3=CC=CC=C3NC2=O
(3)InChI: InChI=1S/C15H11N3O2/c19-14-11-8-4-5-9-12(11)16-15(20)13(14)18-17-10-6-2-1-3-7-10/h1-9,17H,(H,16,20)/b18-13-
(4)InChIKey: GKWGALMNLAGUDA-AQTBWJFISA-N