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2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole
CAS: 123307-21-1 | C20H25N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123307-21-1
Molecular Formula:
C20H25N3O
Molecular Mass:
323.44 g/mol
Names and Synonyms:
2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-
2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
Cyasorb UV 5411
Octrizole
Cyasorb 5411
2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole
Spectra-Sorb UV 5411
2-Benzotriazolyl-4-tert-octylphenol
Sumisorb 340
Viosorb 583
Tinuvin 329
2-(2′-Hydroxy-5′-tert-octylphenyl)benzotriazole
2-(2′-Hydroxy-5′-tert-octylphenyl)benztriazole
2-(2-Hydroxy-5-t-octylphenyl)benzotriazole
2-[2′-Hydroxy-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole
Seesorb 709
2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole
2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole
2-(5′-tert-Octyl-2′-hydroxyphenyl)benzotriazole
UV 5411
Kemisorb 79
UV 329
Chisorb 5411
Uvinul 3029
Eversorb 72
JF 83
2-(2H-Benzotriazol-2-yl)-4-tert-octylphenol
2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
1268A
Seesorb 709G
2-(2H-Benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
BLS 5411
Fisorb 329
Biosoap 583
UVA 235
Songsorb 3290
LA 29
ADK Stab LA 29
UVA 5411
Identifiers:
SMILES:
CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChI:
InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
Key Properties
Melting Point
104.0-105.2 °C @ Solvent: Methanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.44 g/mol | CAS Common Chemistry |
| 323.44000000000005 g/mol | RDKit | |
| 323.19976242 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IYAZLDLPUNDVAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104.0-105.2 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 4.839900000000005 | RDKit |
| Molar Refractivity | 97.62780000000005 | RDKit |
