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Benzoxazole,2,2'-(1,2-ethenediyl)bis[5-methyl- (1041-00-5)

Identification
Name:Benzoxazole,2,2'-(1,2-ethenediyl)bis[5-methyl-
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;
CAS:1041-00-5
EINECS: 213-866-1
Molecular Formula: C18H14N2O2
Molecular Weight: 290.316
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/b8-7+
Molecular Structure: (C18H14N2O2) Benzoxazole,2,2'-vinylenebis[5-methyl- (6CI,8CI);1,2-Bis(5-methyl-2-benzoxazolyl)ethene;1,2-Bis(5-me...
Properties
Density:1.287
Refractive index:1.727
Appearance:Light yellow crystal
Specification:

The cas register number of Fluorescent Brightener 135 is 1041-00-5. It also can be called as 2,2'-(1,2-Ethenediyl)bis[5-methylbenzoxazole] and the IUPAC Name about this chemical is 5-methyl-2-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]-1,3-benzoxazole.

Physical properties about Fluorescent Brightener 135 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)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.06Å2; (12)Index of Refraction: 1.727; (13)Molar Refractivity: 89.76 cm3; (14)Molar Volume: 225.4 cm3; (15)Polarizability: 35.58x10-24cm3; (16)Surface Tension: 57.6 dyne/cm; (17)Enthalpy of Vaporization: 70.58 kJ/mol; (18)Boiling Point: 471.2 °C at 760 mmHg; (19)Vapour Pressure: 1.35E-08 mmHg at 25°C.

Fluorescent Brightener 135 can be used for polyester fibers, polyamide fibers, acetate fibers or synthetic fibers, cotton, wool blended fabrics and other whitening. This chemical can also be used in the coatings, plastics, such as polyvinyl chloride, polystyrene, polyacrylate whitening and so on.

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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: VKRZNAWSCAUDRQ-UHFFFAOYSA-N

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