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CAS No.: | 12224-12-3 |
---|---|
Name: | Fluorescent brightener 135 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | Unspecified |
Molecular Weight: | 290.31596 |
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The Fluorescent brightener 135, with the CAS registry number 12224-12-3, has the systematic name of 2,2'-(E)-ethene-1,2-diylbis(5-methyl-1,3-benzoxazole). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C18H14N2O2.
The characteristics of Fluorescent brightener 135 are as followings: (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: 35.58×10-24cm3; (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.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c4cc(ccc4oc1\C=C\c2nc3cc(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/b8-7+
(3)InChIKey: VKRZNAWSCAUDRQ-BQYQJAHWBN