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3147-77-1

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Basic Information
CAS No.: 3147-77-1
Name: 2-(2-Hydroxy-4-octyloxyphenyl)-[2H]-benzotriazole
Molecular Structure:
Molecular Structure of 3147-77-1 (2-(2-Hydroxy-4-octyloxyphenyl)-[2H]-benzotriazole)
Formula: C20H25N3O2
Molecular Weight: 339.43
Synonyms: 2-(2-Hydroxy-4-octyloxyphenyl)-2H-benzotriazole;2-(2'-Hydroxy-4'-octyloxyphenyl)benzotriazole;Seesorb 707;Sumisorb 310;Sumisorb 510;Viosorb 510;2-(2H-Benzotriazol-2-yl)-5-(octyloxy)phenol;
Density: 1.162 g/cm3
Melting Point: 78-79 °C(Solv: ethanol (64-17-5))
Boiling Point: 512.394 °C at 760 mmHg
Flash Point: 263.687 °C
PSA: 60.17000
LogP: 4.86540
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    Chemical name: 2-(2-hydroxy-4-octyloxyphenyl)-2H-benzotriazole Physical Properties: Appearance: Light yellow powder Melting …

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Specification

The Phenol,2-(2H-benzotriazol-2-yl)-5-(octyloxy)-, with the CAS registry number 3147-77-1, is also known as 2-(2-Hydroxy-4-octyloxyphenyl)-2H-benzotriazole. This chemical's molecular formula is C20H25N3O2 and molecular weight is 339.43. What's more, its systematic name is 2-(2H-Benzotriazol-2-yl)-5-(octyloxy)phenol.

Physical properties of Phenol,2-(2H-benzotriazol-2-yl)-5-(octyloxy)- are: (1)ACD/LogP: 7.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 341176; (6)ACD/BCF (pH 7.4): 143354; (7)ACD/KOC (pH 5.5): 316141; (8)ACD/KOC (pH 7.4): 132835; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 60.17 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 99.193 cm3; (15)Molar Volume: 292.075 cm3; (16)Polarizability: 39.323×10-24 cm3; (17)Surface Tension: 44.207 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 263.687 °C; (20)Enthalpy of Vaporization: 81.318 kJ/mol; (21)Boiling Point: 512.394 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCOc1ccc(c(O)c1)n2nc3ccccc3n2
(2)InChI: InChI=1/C20H25N3O2/c1-2-3-4-5-6-9-14-25-16-12-13-19(20(24)15-16)23-21-17-10-7-8-11-18(17)22-23/h7-8,10-13,15,24H,2-6,9,14H2,1H3
(3)InChIKey: ITLDHFORLZTRJI-UHFFFAOYSA-N