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1041-00-5

Basic Information
CAS No.: 1041-00-5
Name: Fluorescent Brightener 135
Article Data: 2
Molecular Structure:
Molecular Structure of 1041-00-5 (Fluorescent Brightener 135)
Formula: C18H14N2O2
Molecular Weight: 290.321
Synonyms: Benzoxazole,2,2'-vinylenebis[5-methyl- (6CI,8CI);1,2-Bis(5-methyl-2-benzoxazolyl)ethene;1,2-Bis(5-methyl-2-benzoxazolyl)ethylene;1,2-Bis(5'-methyl-2'-benzoxazolyl)ethylene;2,2'-(1,2-Ethenediyl)bis[5-methylbenzoxazole];2,2'-Vinylenebis[5-methylbenzoxazole];C.I. 481520;C.I. Fluorescent Brightener135;C.I. Fluorescent Brightening Agent 135;Fluorescent Brightener 135;HakkolSTR;Uvitex ERN;Uvitex ERN CONC P;Uvitex ERN-P;Whitex ERN;a,b-Di(5-methylbenzoxazol-2-yl)ethene;
EINECS: 213-866-1
Density: 1.288 g/cm3
Melting Point: 180-181°C
Boiling Point: 471.197 °C at 760 mmHg
Flash Point: 237.309 °C
Solubility: 290μg/L at 20℃
Appearance: Light yellow crystal
Hazard Symbols: Xi,Xn
Risk Codes: R36/37/38; R20/21/22
PSA: 52.06000
LogP: 4.75620
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  • 2-[2-(1,3-benzoxazol-2-yl)ethenyl]-5-methyl-1,3-benzoxazole

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  • 1-Amino-8-hydroxynaphthalene-3,6-disulphonic acid

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    1041-00-5

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Specification

The Benzoxazole,2,2'-(1,2-ethenediyl)bis[5-methyl-, with the CAS registry number 1041-00-5, is also known as alpha,beta-Di(5-methylbenzoxazol-2-yl)ethene. Its EINECS number is 213-866-1. This chemical's molecular formula is C18H14N2O2 and molecular weight is 290.32. What's more, its systematic name is 2,2'-Ethene-1,2-diylbis(5-methyl-1,3-benzoxazole). It can be used as brightening agent in the polyester fibre, polyarmide fiber, acetate fiber, and plastic etc. It can increase the color fastness to daylight and wet fastness of the fabric.

Physical properties of Benzoxazole,2,2'-(1,2-ethenediyl)bis[5-methyl- are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 5236.59; (6)ACD/BCF (pH 7.4): 5236.68; (7)ACD/KOC (pH 5.5): 15983.98; (8)ACD/KOC (pH 7.4): 15984.26; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.06 Å2; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 89.76 cm3; (15)Molar Volume: 225.4 cm3; (16)Polarizability: 35.58×10-24 cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 237.3 °C; (20)Enthalpy of Vaporization: 70.58 kJ/mol; (21)Boiling Point: 471.2 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c4cc(ccc4oc1C=Cc2nc3cc(ccc3o2)C)C
(2)InChI: InChI=1/C18H14N2O2/c1-11-3-5-15-13(9-11)19-17(21-15)7-8-18-20-14-10-12(2)4-6-16(14)22-18/h3-10H,1-2H3
(3)InChIKey: VKRZNAWSCAUDRQ-UHFFFAOYAB