Basic Description

Synonyms	3-Chloro-3-methyl-but-1-yne \| BIDD:ER0467 \| NSC-73749 \| Tinuvin 327 \| 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol, 98% \| MFCD00009183 \| 17TJE602RX \| 2,4-di-tert-butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)phenol \| 2-(2'-hydroxy-3',5'-di-t-b
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Phenyltriazoles
        Level6 Phenyl-1,2,3-triazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Phenyltriazoles
Direct Parent	Phenyl-1,2,3-triazoles
Alternative Parents	Phenylpropanes Benzotriazoles Phenols Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenyl-1,2,3-triazole - Benzotriazole - Phenylpropane - Phenol - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504755184
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755184
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
InChIKey	UWSMKYBKUPAEJQ-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
RTECS	SK3425000
Molecular Weight	357.88
Reaxy-Rn	572886
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=572886&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
E2520319	Certificate of Analysis	May 14, 2025	D155328
E2520320	Certificate of Analysis	May 14, 2025	D155328
E2520321	Certificate of Analysis	May 14, 2025	D155328
E2520349	Certificate of Analysis	May 14, 2025	D155328
I2403265	Certificate of Analysis	Jun 25, 2024	D155328
I2403266	Certificate of Analysis	Jun 25, 2024	D155328
I2403273	Certificate of Analysis	Jun 25, 2024	D155328
I2227115	Certificate of Analysis	Oct 09, 2022	D155328
E1821021	Certificate of Analysis	Apr 02, 2022	D155328
F2329208	Certificate of Analysis	Apr 02, 2022	D155328

Chemical and Physical Properties

Solubility	Soluble in Toluene
Melt Point(°C)	155 °C
Molecular Weight	357.900 g/mol
XLogP3	6.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	357.161 Da
Monoisotopic Mass	357.161 Da
Topological Polar Surface Area	50.900 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	473.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Zhang Zi-Yang, Xu Yi-Heng, Chen Ke-Yan, Zhang Mei-Hang, Meng Chun-Yan, Wang Xue-Sheng, Wang Man-Man. (2023) Flower-like molybdenum disulfide/cobalt ferrite composite for the extraction of benzotriazole UV stabilizers in environmental samples. MICROCHIMICA ACTA, 190 (2): (1-12).
2. Xiaoyan Ouyang, Ruiyu Liang, Yuling Hu, Gongke Li, Changying Hu, Qisheng Zhong. (2021) Hollow tube covalent organic framework for syringe filter-based extraction of ultraviolet stabilizer in food contact materials. JOURNAL OF CHROMATOGRAPHY A, 1656 (462538).

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SKU	Size	Availability	Price
D155328-25g	25g	3	$13.90
D155328-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$37.90
D155328-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90

2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-5-chlorobenzotriazole - >98.0%(HPLC), high purity , CAS No.3864-99-1