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| CAS No.: | 63310-10-1 |
|---|---|
| Name: | FLUORESCENT WHITENING AGENT KCB |
| Molecular Structure: | |
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| Formula: | C24H14N2O2 |
| Molecular Weight: | 362.39 |
| Synonyms: | FluorescentBrightener 367; |
| 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-green crystalline powder |
| PSA: | 0.00000 |
| LogP: | 0.00000 |
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Specification
The systematic name of C.I.Fluorescent Brightener 367 is 2,2'-naphthalene-1,4-diylbis(1,3-benzoxazole). With the CAS registry number 63310-10-1, it is also named as Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis-. The product's category is Industrial / Fine Chemicals. It is yellow-green crystalline powder which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (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: 43.5×10-24 cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 263.1 °C; (20)Enthalpy of Vaporization: 76.53 kJ/mol; (21)Boiling Point: 521.9 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-10 mmHg at 25°C.
Preparation and Uses of C.I.Fluorescent Brightener 367: It can be obtained by preparation of acid chloride of 1,4-naphthalenedicarboxylic acid followed by condensation of the ortho-aminophenol. It is mainly used in whitening of synthetic fibers and plastics products. It is also used in PE、PP、PVC、PS、ABS and so on.
People can use the following data to convert to the molecule 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
4. Std. InChI:InChI=1S/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
5. Std. InChIKey:WFYSPVCBIJCZPX-UHFFFAOYSA-N