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| CAS No.: | 5089-22-5 |
|---|---|
| Name: | Fluorescent Brightener 367 |
| Molecular Structure: | |
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| Formula: | C24H14N2O2 |
| Molecular Weight: | 362.387 |
| Synonyms: | Benzoxazole,2,2'-(1,4-naphthylene)bis- (7CI,8CI);1,4-Bis(2-benzoxazolyl)naphthalene;1,4-Di(2-benzoxazolyl)naphthalene;Hostalux KCB; |
| EINECS: | 225-803-5 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 210-212 °C |
| Boiling Point: | 521.9 °C at 760 mmHg |
| Flash Point: | 263.1 °C |
| Solubility: | insoluble in water |
| Appearance: | yellow to green crystalline powder |
| PSA: | 52.06000 |
| LogP: | 6.45620 |
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Specification
The Benzoxazole,2,2'-(1,4-naphthalenediyl)bis- with the CAS number 5089-22-5 is also called 1,4-Bis(2-benzoxazolyl)naphthalene. The systematic name is 2,2'-naphthalene-1,4-diylbis(1,3-benzoxazole). Its molecular formula is C24H14N2O2. The EINECS registry number is 225-803-5. The product category is Industrial/Fine Chemicals.
The properties of the Benzoxazole,2,2'-(1,4-naphthalenediyl)bis- are: (1)ACD/LogP: 7.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.46; (4)ACD/LogD (pH 7.4): 7.46; (5)ACD/BCF (pH 5.5): 277366; (6)ACD/BCF (pH 7.4): 277366.94; (7)ACD/KOC (pH 5.5): 273975.19; (8)ACD/KOC (pH 7.4): 273976.09; (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: 1.731; (14)Molar Refractivity: 109.74 cm3; (15)Molar Volume: 274.3 cm3; (16)Polarizability: 43.5×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Enthalpy of Vaporization: 76.53 kJ/mol; (19)Vapour Pressure: 1.8×10-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c6ccccc6oc1c5c2ccccc2c(c3nc4ccccc4o3)cc5
(2)InChI: InChI=1/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H
(3)InChIKey: WFYSPVCBIJCZPX-UHFFFAOYAN