2,4-Di-tert-butyl-6-(5-chlorobenzotriazol-2-yl) phenol
Product Information
Molecular Formula
C20H24ClN3O
Molecular Weight
358
Description
5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole is a member of triazoles.
Synonyms
5-Chloro-2-(3,5-di-tert-butyl-2-hydroxyphenyl)benzotriazole, 2,4-Di-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol
IUPAC Name
2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
SMILES
CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
InChI
InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
InChI Key
UWSMKYBKUPAEJQ-UHFFFAOYSA-N
Boiling Point
250 °C(lit.)
Melting Point
150-153 °C(lit.)
Flash Point
234°C
Purity
98%
Density
1,26 g/cm3
Solubility
0.02628 mg/L at 25 °C (est)
Appearance
White to Orange to Green powder to crystal
Refractive Index
n20/D 1.479 (lit.)
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H412:
Harmful to aquatic life with long-lasting effects.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H412:
Harmful to aquatic life with long-lasting effects.
Precautionary Statement
P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
6.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
357.1607901 g/mol
Monoisotopic Mass
357.1607901 g/mol
Topological Polar Surface Area
50.9Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
473
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113917577-A | High-water-resistance and bending-resistance optical protective film, polarizer and liquid crystal display device | 2021-12-13 |
| CN-113999492-A | UV-resistant aging-resistant high-performance LED epoxy resin composition and preparation method thereof | 2021-11-22 |
| CN-114032055-A | Low-viscosity hot-melt pressure-sensitive adhesive capable of being coated at low temperature and preparation method thereof | 2021-11-19 |
| CN-113831881-A | Epoxy resin adhesive for microporous water permeable material, and microporous water permeable material | 2021-11-01 |
| CN-113956429-A | Thermoplastic polyurethane elastomer and preparation method thereof | 2021-11-01 |
| CN-113975779-A | Flexible self-adaptation protective equipment | 2021-10-26 |
| JP-2022009296-A | Resin molded body and decorative sheet | 2021-10-20 |
| CN-113913117-A | Photovoltaic cell module packaging adhesive film and preparation method and application thereof | 2021-10-12 |
| CN-114015364-A | Polyolefin photovoltaic packaging adhesive film and preparation method thereof | 2021-10-11 |
| CN-113772760-A | Water treatment agent for perfume production process and preparation method thereof | 2021-09-23 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22242929 | 2012-02-21 | Concentrations and composition profiles of benzotriazole UV stabilizers in municipal sewage sludge in China | Environmental science & technology |
| 21480589 | 2011-05-01 | Determination of benzotriazole and benzophenone UV filters in sediment and sewage sludge | Environmental science & technology |
| 20227827 | 2010-06-15 | Behavior of 2-(3,5-di-tert-butyl-2-hydroxyphenyl)benzotriazole (DBHPBT) and 2-(3,5-di-tert-butyl-2-hydroxyphenyl)-5-chlorobenzotriazole during incineration of solid waste contaminated with thousand mg/kg levels of DBHPBT | Journal of hazardous materials |
| 18622872 | 2008-01-01 | Gender-related difference in the toxicity of ultraviolet absorber 2-(3',5'-di-tert-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole in rats | Drug and chemical toxicology |
| 18622873 | 2008-01-01 | Repeated-dose and reproductive toxicity of the ultraviolet absorber 2-(3',5'-di- tert-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole in rats | Drug and chemical toxicology |
| 17546445 | 2007-07-01 | UPLC-MS as a powerful technique for screening the nonvolatile contaminants in recycled PET | Analytical and bioanalytical chemistry |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 16707329 | 2006-01-01 | Evaluation of developmental toxicity of ultraviolet absorber 2-(3',5'-di-tert-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole in rats | Drug and chemical toxicology |
| 11266322 | 2001-02-01 | Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay | Environmental health perspectives |
