CAS No.21615-49-6,2-(2'-Hydroxy-3',5'-dipentylphenyl)benzotriazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21615-49-6
Name:	2-(2'-Hydroxy-3',5'-dipentylphenyl)benzotriazole

Formula:	C₂₂H₂₉N₃O
Molecular Weight:	351.49
Synonyms:	2-(2-Hydroxy-3,5-dipentylphenyl)benzotriazole;2-(2-Hydroxy-3,5-diamylphenyl)benzotriazole;2-(2'-Hydroxy-3',5'-diamylphenyl)-5-chlorobenzotriazole;
EINECS:	247-384-8
Density:	1.109 g/cm³
Melting Point:	80-83 °C
Boiling Point:	515.122 °C at 760 mmHg
Flash Point:	265.337 °C
PSA:	50.94000
LogP:	5.50130

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Specification

The systematic name of 2-(2'-Hydroxy-3',5'-dipentylphenyl)benzotriazole is 2-(2H-benzotriazol-2-yl)-4,6-dipentylphenol. With the CAS registry number 21615-49-6, it is also named as Phenol,2-(2H-benzotriazol-2-yl)-4,6-dipentyl-. In addition, its molecular formula is C₂₂H₂₉N₃O and molecular weight is 351.49.

The other characteristics of 2-(2'-Hydroxy-3',5'-dipentylphenyl)benzotriazole can be summarized as: (1)EINECS: 247-384-8; (2)ACD/LogP: 8.82; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 9; (5)ACD/LogD (pH 7.4): 9; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 1898583; (9)ACD/KOC (pH 7.4): 1702478; (10)#H bond acceptors: 4; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 10; (13)Polar Surface Area: 50.94 Å²; (14)Index of Refraction: 1.589; (15)Molar Refractivity: 106.837 cm³; (16)Molar Volume: 316.863 cm³; (17)Polarizability: 42.354×10^-24cm³; (18)Surface Tension: 41.382 dyne/cm; (19)Density: 1.109 g/cm³; (20)Flash Point: 265.337 °C; (21)Melting point: 80-83 °C; (22)Enthalpy of Vaporization: 81.662 kJ/mol; (23)Boiling Point: 515.122 °C at 760 mmHg; (24)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCCCCc1cc(c(O)c(CCCCC)c1)n2nc3ccccc3n2
(2)InChI: InChI=1/C22H29N3O/c1-3-5-7-11-17-15-18(12-8-6-4-2)22(26)21(16-17)25-23-19-13-9-10-14-20(19)24-25/h9-10,13-16,26H,3-8,11-12H2,1-2H3
(3)InChIKey: CYCYSJGJOIJFEP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C22H29N3O/c1-3-5-7-11-17-15-18(12-8-6-4-2)22(26)21(16-17)25-23-19-13-9-10-14-20(19)24-25/h9-10,13-16,26H,3-8,11-12H2,1-2H3
(5)Std. InChIKey: CYCYSJGJOIJFEP-UHFFFAOYSA-N