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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
Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
p-Cresol, 2-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)-
2-(5-Chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methylphenol
2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chlorobenztriazole
Tinuvin 326
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole
2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzo-v-triazole
Benazol PBKh
2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chlorobenzotriazole
5-Chloro-2-(3-tert-butyl-2-hydroxy-5-methylphenyl)benzotriazole
2-tert-Butyl-6-(5-chloro-2-benzotriazolyl)-4-methylphenol
Bumetrizole
Cibatex LF
Seesorb 703
Sumisorb 300
Viosorb 550
2-(3-tert-Butyl-5-methyl-2-hydroxyphenyl)-5-chlorobenzotriazole
2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chloro-2H-benzotriazole
Kemisorb 73
Mark LA 36
LA 36
ADK Stab LA 36
UV 326
2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol
JF 79
JC 30S
VS 550
J 395 (light stabilizer)
J 395
2-(2′-Hydroxy-3′-tert-butyl-5′-methylphenyl)-5-chlorobenzotriazole
2-[5-Chloro-2H-benzotriazol-2-yl]-4-methyl-6-(tert-butyl)phenol
A-Light
Tinogard AS
Lowilite 26
2-(3′-tert-Butyl-5′-methyl-2′-hydroxyphenyl)-5-chlorobenzotriazole
5-Chloro-2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-2H-benzotriazole
TNV 326
2-(3′-tert-Butyl-2′-hydroxy-5′-methylphenyl)-5-chlorobenzotriazole
Eversorb 73
Tomisorb 600
Tin 326
ADK Stab LA 36RG
Uvinul 3026
T 326
CBT
2-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresol
2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzotriazole
Light Stabilizer 326
2-(5-Chloro-2H-benzotriazol-2-yl)-6-tert-butyl-4-methylphenol
Songsorb 3260
Hostavin 3326
Riasorb UV 326
2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol
Chisorb 326
UV 326H
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | 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 | 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 | Legacy Database | |
| cas-inchi-key | InChIKey=OCWYEMOEOGEQAN-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 137-141 °C | Legacy Database | |
| cas-name | 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazole | Legacy Database | |
| LogP | 4.3854200000000025 | RDKit | |
| Molecular | Molecular Weight | 315.8040000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 315.113839876 g/mol | RDKit |
| Heavy | Heavy Atom Count | 22 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 3 count | RDKit |
| Topological | Topological Polar Surface Area | 50.94 Ų | RDKit |
| Molar | Molar Refractivity | 88.97680000000003 | RDKit |
