Hexaconazole - analytical standard, ≥98% , CAS No.79983-71-4

CAS: 79983-71-4 Cat. No.: H109963 Formula: C14H17Cl2N3O Peso molecolare: 314.21 Beilstein Registry Number: 8328399 Numero EC: 413-050-7
Disponibile su ordine
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
Synonyms
Anvil (fungicide) | NCGC00164270-01 | .alpha.-Butyl-.alpha.-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (.+/-.)- | 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol | 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)- | Hexaco
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
100mg
H109963-100mg
Su ordinazione · 8–12 settimane
77,14€
500mg
H109963-500mg
—
5 Disponibile
156,11€
1g
H109963-1g
—
2 Disponibile
309,70€
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, ≥98% Standard analitico 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 22 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
Anvil (fungicide) | NCGC00164270-01 | .alpha.-Butyl-.alpha.-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol (.+/-.)- | 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol | 1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)- | Hexaco
Specifiche e purezza
analytical standard, ≥98%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Grado
Standard analitico
Purezza
≥98%
Nomi e identificatori
Pubchem Sid528771593
Sorrisi canoniciCCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
IUPAC Name2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
InChIKeySTMIIPIFODONDC-UHFFFAOYSA-N
INCHI1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
Isomeri SMILES CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
WGK Germania 2
RTECS XZ4803200
Peso molecolare 314.21
Beilstein 8328399
Reaxy-Rn 8328399
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8328399&ln=

Documentazione

📋 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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents Aryl chlorides  Triazoles  Tertiary alcohols  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Azole - Tertiary alcohol - 1,2,4-triazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Aromatic alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors Conazole fungicides
Struttura 3D
Modello di struttura chimica interattiva





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Rorc Nuclear receptor ROR-gamma (89407 Activities)
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Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

6 results found

Lot NumberCertificate TypeDataOggetto
H2606117Certificate of AnalysisAug 08, 2026 H109963
E2408074Certificate of AnalysisFeb 04, 2026 H109963
G2220707Certificate of AnalysisJan 19, 2026 H109963
G2220709Certificate of AnalysisJan 19, 2026 H109963
G2220716Certificate of AnalysisApr 07, 2024 H109963
K1915037Certificate of AnalysisJun 06, 2023 H109963
Proprietà chimiche e fisiche
Punto di fusione (°C)111°C
Peso molecolare314.200 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass313.075 Da
Monoisotopic Mass313.075 Da
Topological Polar Surface Area50.900 Ų
Heavy Atom Count20
Formal Charge0
Complexity308.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Domande frequenti e articoli
Citations of This Product
Riferimenti
1. Xiaojiao Zheng, Weiwei Ma, Qihui Wang, Yaping Xu, Yukun Yang, Shu Qin, Xu Jing.  (2023)  Development of self-dispersion ferrofluid-based dispersive liquid–liquid microextraction for determining chiral fungicide hexaconazole in water, tea, and juice using high-performance liquid chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109593]
2. Xiaoyu Yang.  (2023)  Simultaneous Enantioseparation of Three Chiral Antifungal Pesticides by Hydroxypropyl-γ-CD-Modified Micellar Electrokinetic Chromatography.  Journal of Analytical Methods in Chemistry,      [PMID:37849914] [10.1155/2023/9993526]
3. Yanhui Zhang, Tingze Ren, Ruiyu Fu, Qingxin Lu, Xiaoli Guo, Xin Di.  (2023)  An effervescence-assisted switchable deep eutectic solvent based liquid-phase microextraction of triazole fungicides in drinking water and beverage.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37343404] [10.1016/j.chroma.2023.464149]
4. Ruiyu Fu, Tingze Ren, Yanhui Zhang, Qingxin Lu, Xiaoli Guo, Xin Di.  (2023)  Hexafluoroisopropanol-based supramolecular solvent for liquid phase microextraction of triazole fungicides in drinking water and beverages.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108842]
5. Jing Nie, Jiabei Zhou, Yi Shen, Ruimiao Lin, Haihong Hu, Kui Zeng, Huichang Bi, Min Huang, Lushan Yu, Su Zeng, Jing Miao.  (2023)  Studies on the interaction of five triazole fungicides with human renal transporters in cells.  TOXICOLOGY IN VITRO,      [PMID:36669674] [10.1016/j.tiv.2023.105555]
6. Jianan Liu, Jinjin Cheng, Chunli Zhou, Liya Ma, Xiaolong Chen, Yong Li, Xing Sun, Xiaolong Yan, Renhua Geng, Qun Wan, Xiangyang Yu.  (2022)  Uptake kinetics and subcellular distribution of three classes of typical pesticides in rice plants.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36374729] [10.1016/j.scitotenv.2022.159826]
7. Min Sun, Haili Sun, Juanjuan Feng, Jiaqing Feng, Jing Fan, Mingxia Sun, Yang Feng.  (2022)  Carbonized metal-organic framework-74/carbon aerogel composites for the efficient extraction of triazole fungicides from fruits and vegetables.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36219967] [10.1016/j.chroma.2022.463552]
8. Haili Sun, Juanjuan Feng, Jiaqing Feng, Mingxia Sun, Yang Feng, Min Sun.  (2022)  Carbon aerogels derived from waste paper for pipette-tip solid-phase extraction of triazole fungicides in tomato, apple and pear.  FOOD CHEMISTRY,      [PMID:35816989] [10.1016/j.foodchem.2022.133633]
9. Lin Li, Xiao-ting Yuan, Zhi-guo Shi, Lan-ying Xu.  (2020)  Chiral stationary phase based on cellulose derivative coated polymer microspheres and its separation performance.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32505273] [10.1016/j.chroma.2020.461154]
10. Yulong Wang, Junli Xu, Yulou Qiu, Pan Li, Beibei Liu, Lifei Yang, Bogdan Barnych, Bruce D. Hammock, Cunzheng Zhang.  (2019)  Highly Specific Monoclonal Antibody and Sensitive Quantum Dot Beads-Based Fluorescence Immunochromatographic Test Strip for Tebuconazole Assay in Agricultural Products.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31356079] [10.1021/acs.jafc.9b02832]
11. Weixuan Yao, Zhefeng Fan, Suling Zhang.  (2019)  Preparation of metal-organic framework UiO-66-incorporated polymer monolith for the extraction of trace levels of fungicides in environmental water and soil samples.  JOURNAL OF SEPARATION SCIENCE,  42  (16): (2679-2686).  [PMID:31177628] [10.1002/jssc.201900168]
12. Xiao-jing Mao, Jing Li, Dan Liu, Ting Qiao, Liyun Ma, Xiao Sun, Li Xu, Zhi-guo Shi.  (2017)  Flow-through silica: A potential matrix for fast chromatographic enantioseparation with high enantioselectivity.  TALANTA,      [PMID:29136866] [10.1016/j.talanta.2017.09.093]
13. Shuaihua Zhang, Qian Yang, Wenchang Wang, Chun Wang, Zhi Wang.  (2016)  Covalent Bonding of Metal–Organic Framework-5/Graphene Oxide Hybrid Composite to Stainless Steel Fiber for Solid-Phase Microextraction of Triazole Fungicides from Fruit and Vegetable Samples.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:26998567] [10.1021/acs.jafc.5b05831]
14. Tian-Qiong Shi, Yi-hang Shen, Ya-Wen Li, Zi-Yi Huang, Zhi-Kui Nie, Chao Ye, Yue-Tong Wang, Qi Guo.  (2024)  Improving the productivity of gibberellic acid by combining small-molecule compounds-based targeting technology and transcriptomics analysis in Fusarium fujikuroi.  BIORESOURCE TECHNOLOGY,      [PMID:38185446] [10.1016/j.biortech.2024.130299]
15. 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]
16. Chi Wu, Kai He, Huizhen Li, Lan Zhang, Liangang Mao, Lizhen Zhu, Jinhua Jiang, Xingang Liu.  (2024)  Transgenerational combined toxicity effects of neonicotinoids and triazole pesticides at environmentally relevant concentrations on D. magna: From individual to population level.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39733747] [10.1016/j.jhazmat.2024.137023]
17. Honglei Zhao, Ruotong Li, Jiye Hu.  (2023)  Frequently used pesticides and their metabolites residues in apple and apple juice from markets across China: Occurrence and health risk assessment.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2023.114610]
18. Xiaofei Han, Jia Chen, Zhan Li, Kaijun Quan, Hongdeng Qiu.  (2020)  Magnetic solid-phase extraction of triazole fungicides based on magnetic porous carbon prepared by combustion combined with solvothermal method.  ANALYTICA CHIMICA ACTA,      [PMID:32891394] [10.1016/j.aca.2020.06.077]
19. 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]
20. Yuxin Wang, Jin Liu, Suzhen Li, Jizhen Fu, Xiaowen Wang, Li Li, Xu Jing.  (2025)  Automated high-throughput dispersive liquid-liquid microextraction coupled with UHPLC-MS/MS for detecting triazole fungicides in water, juices, wine, and tea.  Food Chemistry-X,      [PMID:40686910] [10.1016/j.fochx.2025.102712]
21. Jun Li, Jianlan Deng, Qian Tao, Chenyu Yan, Yuxuan Liu, Jianxiao Yang, Zhong Cao.  (2025)  A Turn-On Fluorescence Sensor Based on Guest-Induced Luminescence Ru(bpy)32+@UiO-66 for the Detection of Organophosphorus Pesticides.  MOLECULES,  30  (15): (3130).  [PMID:40807303] [10.3390/molecules30153130]
22. Quanping Diao, Liyang Sun, Linlin Lv, Tiechun Li, Jiaqi Pan, Weiwei Luo.  (2025)  Rapid Detection of Hexaconazole in Kiwifruit Using Surface-Enhanced Raman Spectroscopy (SERS) Technology.  Surfaces,  8  (4): (84).  [PMID:] [10.3390/surfaces8040084]
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