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
Canonical 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.
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.

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

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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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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