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Molecule
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 Mass
- 315.80 g/mol
Identifiers
CAS Registry Number
3896-11-5
SMILES
Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChI Key
OCWYEMOEOGEQAN-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 315.80 g/mol | CAS Common Chemistry |
| 315.8040000000001 g/mol | RDKit | |
| 315.804 g/mol | RDKit | |
| 316.809 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1C=CC2=NN(N=C2C1)C3=CC(=CC(=C3O)C(C)(C)C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=OCWYEMOEOGEQAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137-141 °C | CAS Common Chemistry |
| Name | 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 4.3854200000000025 | RDKit |
| 4.3854 | RDKit | |
| Molar Refractivity | 88.97680000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 315.113839876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 315.80 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H18ClN3O.
