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Fluorescent Brightener 185 (2866-43-5)

Identification
Name:Fluorescent Brightener 185
Synonyms:2,2'-(2,5-thiophenediyl)bis-benzoxazole;2,5-di(benzoxazol-2-yl)thiophene;2,5-Bis(2-benzoxazolyl)thiophene;C.I. Fluorescent Brightener 172;c.i. 515240;2,2'-thiophene-2,5-diylbis(benzoxazole);Benzoxazole, 2,2-(2,5-thiophenediyl)bis-;
CAS:2866-43-5
EINECS: 220-685-1
Molecular Formula: C18H10N2O2S
Molecular Weight: 318.35
InChI: InChI=1/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H
Molecular Structure: (C18H10N2O2S) 2,2'-(2,5-thiophenediyl)bis-benzoxazole;2,5-di(benzoxazol-2-yl)thiophene;2,5-Bis(2-benzoxazolyl)thio...
Properties
Melting Point: 216-220 ºC
Density:1.385
Appearance:BRIGHT yellow crystal power
Specification:

This chemical is called Fluorescent Brightener 185, and it can also be named as 2,2'-(2,5-thiophenediyl)bis-benzoxazole. With the CAS number of 2866-43-5, its IPUAC name is 2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole. In addition, its molecular formula is C18H10N2O2S, and its product categories are industrial and fine chemicals. Additionally, this product is light yellow crystalline or bright blue fluorescence powder, and it can be miscible with water in any proportion. Usually, it's stable on hard water, acid and alkali. Besides, the Fluorescent Brightener 185 is often used as brightener for acetate, nylon, polyester, polypropylene, polyvinyl chloride fiber and blended fiber, and can also be used for all kinds of polyolefin plastics, BS engineering plastics, plexiglass.

Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 13994.99; (6)ACD/BCF (pH 7.4): 13995.12; (7)ACD/KOC (pH 5.5): 32305.32; (8)ACD/KOC (pH 7.4): 32305.6; (9)#H bond acceptors: 4; (10)#H bonddonors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.3 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 90.28 cm3;(15)Molar Volume: 229.7 cm3; (16)Polarizability: 35.79×10-24 cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.385 g/cm3; (19)Flash Point: 235.9 °C; (20)Enthalpy of Vaporization: 70.03 kJ/mol; (21)Boiling Point: 466.4 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-08 mmHg at 25°C; (23) Melting Point: 216-220°C.

You can still convert the following datas into molecular structure:
(1)SMILES: o1c5c(nc1c2sc(cc2)c3nc4ccccc4o3)cccc5
(2)InChI: InChI=1/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H
(3)InChIKey: UGFSLKRMHPGLFU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H (5)Std. InChIKey: UGFSLKRMHPGLFU-UHFFFAOYSA-N

Safety Data