CAS No.12239-58-6,Disperse yellow 82 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	12239-58-6
Name:	Disperse yellow 82
Article Data:	11

Formula:	C₂₀H₁₉N₃O₂
Molecular Weight:	333.39
Synonyms:	Foron Brilliant Yellow SE-8G;Intrasil Brilliant Flavine 8GFF;Disperse Yellow 82 (fluorescent);
EINECS:	248-451-4
Density:	1.302 g/cm³
Boiling Point:	602.3 °C at 760 mmHg
Flash Point:	318 °C
PSA:	62.13000
LogP:	4.18250

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Specification

The Disperse yellow 82, with the CAS registry number 12239-58-6, is also known as 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-. It belongs to the product categories of Dyes and Pigments. Its EINECS registry number is 248-451-4. This chemical's molecular formula is C₂₀H₁₉N₃O₂ and molecular weight is 333.389. What's more, both its IUPAC name and systematic name are the same which is called 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)chromen-2-one.

Physical properties about Disperse yellow 82 are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.23; (5)ACD/BCF (pH 5.5): 3332.96; (6)ACD/BCF (pH 7.4): 5535.27; (7)ACD/KOC (pH 5.5): 9989.64; (8)ACD/KOC (pH 7.4): 16590.49; (9)#H bond acceptors: 5; (10) #H bond donors: 1 ; (11)#Freely Rotating Bonds: 4; (12) Polar Surface Area: 47.36 Å² ; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 98.15 cm³; (15)Molar Volume: 255.9 cm³; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.302 g/cm³; (18)Flash Point: 318 °C; (19)Enthalpy of Vaporization: 89.61 kJ/mol; (20)Boiling Point: 602.3 °C at 760 mmHg; (21)Vapour Pressure: 1.85E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2Oc1cc(ccc1\C=C\2c3nc4ccccc4n3)N(CC)CC
(2) InChI: InChI=1/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
(3) InChIKey: GOLORTLGFDVFDW-UHFFFAOYAQ