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3864-99-1 | 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CAS No: 3864-99-1 Catalog No: AG00328L MDL No:MFCD00059706
Product Description
Catalog Number:
AG00328L
Chemical Name:
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CAS Number:
3864-99-1
Molecular Formula:
C20H24ClN3O
Molecular Weight:
357.8771
MDL Number:
MFCD00059706
IUPAC Name:
2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
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
SMILES:
Clc1ccc2c(c1)nn(n2)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
EC Number:
223-383-8
UNII:
17TJE602RX
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.161g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.882g/mol
Monoisotopic Mass:
357.161g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| Concentrations and composition profiles of benzotriazole UV stabilizers in municipal sewage sludge in China. | Environmental science & technology 20120221 |
| Determination of benzotriazole and benzophenone UV filters in sediment and sewage sludge. | Environmental science & technology 20110501 |
| 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 20100615 |
| 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 20080101 |
| 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 20080101 |
| UPLC-MS as a powerful technique for screening the nonvolatile contaminants in recycled PET. | Analytical and bioanalytical chemistry 20070701 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Evaluation of developmental toxicity of ultraviolet absorber 2-(3',5'-di-tert-butyl-2'-hydroxyphenyl)-5-chlorobenzotriazole in rats. | Drug and chemical toxicology 20060101 |
| Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay. | Environmental health perspectives 20010201 |
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