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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

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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

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