Difenoconazole - analytical standard, ≥98% , CAS No.119446-68-3

CAS: 119446-68-3 Cat. No.: D109735 Molecular Weight: 406.26 Beilstein Registry Number: 9073356 EC Number: 601-613-1
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
Synonyms
1H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]- | CGA-169374 | 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS-119446-68-3 | Potassium pentyl xanthate | 1
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
250mg
D109735-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$220.90
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Why this grade

analytical standard, ≥98% Analytical standard 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 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1H-1, 2, 4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1, 3-dioxolan-2-yl]methyl]- | CGA-169374 | 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1, 3-dioxolan-2-yl]methyl]-1, 2, 4-triazole | CAS-119446-68-3 | Potassium pentyl xanthate | 1
Specifications & Purity
analytical standard, ≥98%
Biochemical and Physiological Mechanisms
Plant fungicide. Various pharmacological effects including increased mortality, morphological deformities and development delay in zebrafish. Active in vivo .
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
IUPAC Name1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
InChIKeyBQYJATMQXGBDHF-UHFFFAOYSA-N
INCHI1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
Isomeric SMILES CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
WGK Germany 3
RTECS XZ4380000
Molecular Weight 406.26
Beilstein 9073356
Reaxy-Rn 9073356
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9073356&ln=

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

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  Phenoxy compounds  Phenol ethers  Ketals  Chlorobenzenes  Aryl chlorides  Triazoles  Heteroaromatic compounds  1,3-dioxolanes  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Chlorobenzene - Ketal - Halobenzene - Aryl chloride - Aryl halide - Meta-dioxolane - Azole - Heteroaromatic compound - 1,2,4-triazole - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Conazole fungicides
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FECH Tchem Ferrochelatase, mitochondrial (678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HMBS Tbio Porphobilinogen deaminase (404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alternaria solani (773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania infantum (5912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei (78846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fusarium oxysporum (3998 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Botrytis cinerea (4183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alternaria alternata (757 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ceratobasidium cereale (139 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cladosporium cucumerinum (320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gaeumannomyces tritici (238 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycosphaerella arachidis (441 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhizoctonia solani (2251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Botryosphaeria berengeriana (484 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Capsicum annuum (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pestalotiopsis microspora (57 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fusarium graminearum (1554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum truncatum (198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum acutatum (300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

3 results found

Lot NumberCertificate TypeDateItem
J2225390Certificate of AnalysisApr 02, 2026 D109735
G2318708Certificate of AnalysisApr 08, 2025 D109735
J2115516Certificate of AnalysisJul 07, 2023 D109735
Chemical and Physical Properties
Boil Point(°C)220°C
Melt Point(°C)76°C
Molecular Weight406.300 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass405.065 Da
Monoisotopic Mass405.065 Da
Topological Polar Surface Area58.400 Ų
Heavy Atom Count27
Formal Charge0
Complexity495.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Yingming Duan, Yiquan Huang, Liling Huang, Zhangmin Xiang, Jian Liu, Shuqin Liu, Zhuo Chen.  (2023)  In vivo tracing of triazole pesticides in Chinese cabbage via a novel solid-phase microextraction fiber.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2023.110143]
2. Qingshan Feng, Lei Han, Qiong Wu, Xiaomao Wu.  (2023)  Dissipation, residue and dietary risk assessment of difenoconazole in Rosa roxburghii.  JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES,      [PMID:37800694] [10.1080/03601234.2023.2263325]
3. Enzhuang Pan, Huimiao Feng, Zuwang Yang, Yue Xin, Xiaomeng Ji, Kaixin Ping, Yong Sun, Jingquan Dong.  (2023)  Quercetin dietary supplementation protects against difenoconazole-induced carp spleen inflammatory damage via regulating ROS/NF-κB/NLRP3 inflammasome axis.  AQUACULTURE,      [PMID:] [10.1016/j.aquaculture.2023.740162]
4. Guoyan Qin, Qi Zhang, Ziyao Zhang, Yiling Chen, Jichao Zhu, Yaohui Yang, W.J.G.M. Peijnenburg, Haifeng Qian.  (2023)  Understanding the ecological effects of the fungicide difenoconazole on soil and Enchytraeus crypticus gut microbiome.  ENVIRONMENTAL POLLUTION,      [PMID:36990340] [10.1016/j.envpol.2023.121518]
5. Wenhui Li, Ying Gu, Zikun Liu, Rimao Hua, Xiangwei Wu, Jiaying Xue.  (2022)  Development of a polyurethane-coated thin film solid phase microextraction device for multi-residue monitoring of pesticides in fruit and tea beverages.  JOURNAL OF SEPARATION SCIENCE,  46  (2): (2200661).  [PMID:36373185] [10.1002/jssc.202200661]
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. Gui-Yang Zhu, Ying Chen, Su-Yan Wang, Xin-Chi Shi, Daniela D. Herrera-Balandrano, Victor Polo, Pedro Laborda.  (2022)  Peel Diffusion and Antifungal Efficacy of Different Fungicides in Pear Fruit: Structure-Diffusion-Activity Relationships.  Journal of Fungi,  (5): (547).  [PMID:35628802] [10.3390/jof8050547]
8. Chun Yang, Lili Song, Zhong Miao, Lingyun Jiang, Ting Li, Xiaoyan Zhi, Xiaojuan Hao, Hui Cao.  (2021)  Discovery of novel obovatol-based phenazine analogs as potential antifungal agents: synthesis and biological evaluation in vitro.  ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES,      [PMID:] [10.1515/znb-2020-0158]
9. Kaiqiang Wang, Da-Wen Sun, Hongbin Pu, Qingyi Wei.  (2019)  A rapid dual-channel readout approach for sensing carbendazim with 4-aminobenzenethiol-functionalized core–shell Au@Ag nanoparticles.  ANALYST,  145  (5): (1801-1809).  [PMID:31951224] [10.1039/C9AN02185J]
10. Kaiqiang Wang, Da-Wen Sun, Hongbin Pu, Qingyi Wei.  (2018)  Surface-enhanced Raman scattering of core-shell Au@Ag nanoparticles aggregates for rapid detection of difenoconazole in grapes.  TALANTA,      [PMID:30262083] [10.1016/j.talanta.2018.08.005]
11. Xu Guo, Dandan Yang, Yu Su, Yanhua Chen, Jie Ding, Lan Ding, Daqian Song.  (2024)  High selectivity molecularly imprinted polymer based on short amylose as bio-based functional monomers for selective extraction of λ-cyhalothrin.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38795883] [10.1016/j.ijbiomac.2024.132566]
12. 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]
13. 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]
14. 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]
15. 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]
16. Zhangrui Luo, Jiaxing Yu, Jiaohong Li, Xiaomao Wu.  (2026)  Control of Neofusicoccum parvum-induced fruit rot in Rosa roxburghii using osthol: from laboratory efficacy to field application.  PHYSIOLOGICAL AND MOLECULAR PLANT PATHOLOGY,      [PMID:] [10.1016/j.pmpp.2026.103129]
17. Huiru Xu, Yuqing Zong, Kehan Yin, Rimao Hua, Xiangwei Wu, Jiaying Xue.  (2026)  Semi-automatic silicon rubber based multi-vial microextraction for determination and removal of pesticides from waters and tea.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:41689928] [10.1016/j.chroma.2026.466796]
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