Triadimenol - ≥96%, mixture of isomers , CAS No.55219-65-3

Name: Triadimenol - ≥96%, mixture of isomers , CAS No.55219-65-3
SKU: T141097
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CAS: 55219-65-3 Cat. No.: T141097 Fórmula: C₁₄H₁₈ClN₃O₂ Peso molecular: 295.76 Beilstein Registry Number: 616470 Número CE: 259-537-6 PubChem CID: 41368

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Triadimenol - ≥96%, mixture of isomers CAS No(55219-65-3) by Aladdin Scientific

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GRADE & PURITY ≥96% mixture of isomers

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas FAQs e artigos Citations of This Product Referências Calculadoras de soluções Revisões

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Why this grade

≥96%, mixture of isomers for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Especificações e pureza

≥96%, mixture of isomers

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid	528769038
Sorrisos canónicos	CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
IUPAC Name	1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
InChIKey	BAZVSMNPJJMILC-UHFFFAOYSA-N
INCHI	1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
SMILES isoméricas	CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
PubChem CID	41368
Peso molecular	295.76
Beilstein	616470

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors	Conazole fungicides
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

Estrutura 3D

Alvos associados (humanos)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)

Discover Target: HSP90AA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 Activities)

Lot Number	Certificate Type	Data	Item
E2530079	Certificate of Analysis	Jun 07, 2025	T141097
H2422110	Certificate of Analysis	Sep 02, 2024	T141097
C2427075	Certificate of Analysis	Apr 17, 2024	T141097
C1926095	Certificate of Analysis	Jan 26, 2023	T141097

Ponto de inflamação (°C)	100°C
Peso molecular	295.760 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	295.109 Da
Monoisotopic Mass	295.109 Da
Topological Polar Surface Area	60.200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	303.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

1. Tong Li, Hui Li, Jia Chen, Yongliang Yu, Shuai Chen, Jianhua Wang, Hongdeng Qiu. (2024) Histidine-modified pillar[5]arene-functionalized mesoporous silica materials for highly selective enantioseparation. JOURNAL OF CHROMATOGRAPHY A, [PMID:38776604] [10.1016/j.chroma.2024.465011]
2. Jin Liu, Yuanjun Nie, Yu Niu, Li Li, Xu Jing. (2024) Lignin-based emulsive liquid-liquid microextraction for detecting triazole fungicides in water, juice, vinegar, and alcoholic beverages via UHPLC-MS/MS. FOOD CHEMISTRY, [PMID:39018619] [10.1016/j.foodchem.2024.140407]
3. Mingming Chen, Xiaojing Lai, Bihang Su, Xiancai Jiang, Jinhua Xu, Fengfu Fu, Zhenyu Lin, Yongqing Dong. (2024) Rapid detection of tebuconazole based on hydrogel SERS chips. TALANTA, [PMID:38795591] [10.1016/j.talanta.2024.126309]
4. Longhui Luo, Dongmei Chen, Xiufang Yan, Chao Kang, Wei Tian, Qian Liu, Xiaoying Yang, Tingting Chen, Youhua Long. (2025) Dynamic visual monitoring of triazole pesticide residues and penetration behavior in fruits and vegetables by surface-enhanced Raman spectroscopy combined with chemometrics. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.114057]
5. Min Li, Yulin Wang, Huajuan Yin, Xu Jing, Yunlong Li. (2026) Green Solvent-Based Dispersive Liquid–Liquid Microextraction Method Coupled with High-Performance Liquid Chromatography for the Determination of Triazole Fungicides in Cereal Samples. Foods, 15 (17): (3002). [PMID:42737246] [10.3390/foods15173002]

Triadimenol - ≥96%, mixture of isomers , CAS No.55219-65-3

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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