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2-(2-Hydroxy-3-Tert-Butyl-5-Methylphenyl)-5-Chlorobenzotriazole
CAS: 3896-11-5 | C17H18ClN3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3896-11-5
Molecular Formula:
C17H18ClN3O
Molecular Weight:
315.8040000000001 g/mol
Names and Synonyms:
2-(2-Hydroxy-3-Tert-Butyl-5-Methylphenyl)-5-Chlorobenzotriazole
Synonym
Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
Synonym
p-Cresol, 2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-
Synonym
2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methylphenol
Synonym
2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chlorobenztriazole
Synonym
Tinuvin 326
Synonym
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole
Synonym
2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzo-v-triazole
Synonym
Benazol PBKh
Synonym
2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chlorobenzotriazole
Synonym
5-Chloro-2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazole
Synonym
2-tert-Butyl-6-(5-chloro-2-benzotriazolyl)-4-methylphenol
Synonym
Bumetrizole
Synonym
Cibatex LF
Synonym
Seesorb 703
Synonym
Sumisorb 300
Synonym
Viosorb 550
Synonym
2-(3-tert-Butyl-5-methyl-2-hydroxyphenyl)-5-chlorobenzotriazole
Synonym
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chloro-2H-benzotriazole
Synonym
Kemisorb 73
Synonym
Mark LA 36
Synonym
LA 36
Synonym
ADK Stab LA 36
Synonym
UV 326
Synonym
2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol
Synonym
JF 79
Synonym
JC 30S
Synonym
VS 550
Synonym
J 395 (light stabilizer)
Synonym
J 395
Synonym
2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chlorobenzotriazole
Synonym
2-[5-Chloro-2H-benzotriazol-2-yl]-4-methyl-6-(tert-butyl)phenol
Synonym
A-Light
Synonym
Tinogard AS
Synonym
Lowilite 26
Synonym
2-(3′-tert-Butyl-5′-methyl-2′-hydroxyphenyl)-5-chlorobenzotriazole
Synonym
5-Chloro-2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-2H-benzotriazole
Synonym
TNV 326
Synonym
2-(3′-tert-Butyl-2′-hydroxy-5′-methylphenyl)-5-chlorobenzotriazole
Synonym
Eversorb 73
Synonym
Tomisorb 600
Synonym
Tin 326
Synonym
ADK Stab LA 36RG
Synonym
Uvinul 3026
Synonym
T 326
Synonym
CBT
Synonym
2-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresol
Synonym
2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzotriazole
Synonym
Light Stabilizer 326
Synonym
2-(5-Chloro-2H-benzotriazol-2-yl)-6-tert-butyl-4-methylphenol
Synonym
Songsorb 3260
Synonym
Hostavin 3326
Synonym
Riasorb UV 326
Synonym
2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol
Synonym
Chisorb 326
Synonym
UV 326H
Synonym
Identifiers:
SMILES:
Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChI:
InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 315.8040000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 315.113839876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 50.94 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.3854200000000025 | RDKit |
| molecular_mass | 315.80 g/mol | Legacy Database |
| cas-canonical-smile | ClC=1C=CC2=NN(N=C2C1)C3=CC(=CC(=C3O)C(C)(C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OCWYEMOEOGEQAN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 137-141 °C None | Legacy Database |
| cas-name | 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 88.97680000000003 | RDKit |