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| CAS No.: | 23328-53-2 |
|---|---|
| Name: | TINUVIN 571 |
| Molecular Structure: | |
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| Formula: | C25H35N3O |
| Molecular Weight: | 393.572 |
| Synonyms: | p-Cresol,2-(2H-benzotriazol-2-yl)-6-dodecyl- (8CI);(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole;2-(2-Hydroxy-3-dodecyl-5-methylphenyl)-2H-benzotriazole;2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole;2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol;2-(3-Dodecyl-2-hydroxy-5-methylphenyl)benzotriazole;2-(3'-Dodecyl-2'-hydroxy-5'-methylphenyl)benzotriazole;2-(3'-Dodecyl-5'-methyl-2'-hydroxyphenyl)benzotriazole;2-(Benzotriazol-2-yl)-6-dodecyl-4-methylphenol;Tinogard TL;Tinuvin 171;Tinuvin 571;UV 571; |
| EINECS: | 401-680-5 |
| Density: | 1.07 g/cm3 |
| Boiling Point: | 545.1 °C at 760 mmHg |
| Flash Point: | 283.4 °C |
| Appearance: | clear viscous yellow liquid |
| PSA: | 50.94000 |
| LogP: | 6.89790 |
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Specification
The Phenol,2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl- is an organic compound with the formula C25H35N3O. The IUPAC name of this chemical is 2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol. With the CAS registry number 23328-53-2, it is also named as 2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol.
Physical properties about Phenol,2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl- are: (1)ACD/LogP: 10.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.6; (4)ACD/LogD (pH 7.4): 10.53; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 39.94 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 120.66 cm3; (15)Molar Volume: 365 cm3; (16)Polarizability: 47.83×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 283.4 °C; (20)Enthalpy of Vaporization: 85.47 kJ/mol; (21)Boiling Point: 545.1 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccccc3nn1c2cc(cc(c2O)CCCCCCCCCCCC)C
(2)InChI: InChI=1/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
(3)InChIKey: VQMHSKWEJGIXGA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
(5)Std. InChIKey: VQMHSKWEJGIXGA-UHFFFAOYSA-N