Myclobutanil Solution in Hexane - 100μg/mL in Hexane,uncertain3% , CAS No.88671-89-0

CAS: 88671-89-0 Cat. No.: BWY396219 Peso molecular: 288.78 Número EC: 618-198-8
Disponible para pedir
GRADE & PURITY 100μg/mL in Hexane,uncertain3%
Synonyms
FT-0629047 | 1H-1,2,4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)- | Nova | 1H-1,2,4-TRIAZOLE-1-PROPANENITRILE, .ALPHA.-BUTYL-.ALPHA.-(4- CHLOROPHENYL)- | AKOS015895793 | .ALPHA.-BUTYL-.ALPHA.-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZOLE-1- PROPAN
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Estado
Price
Qty
1.2ml
BWY396219-1.2ml
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91,90US$

107,90US$
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Why this grade

100μg/mL in Hexane,uncertain3% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
FT-0629047 | 1H-1, 2, 4-Triazole-1-propanenitrile, alpha-butyl-alpha-(4-chlorophenyl)- | Nova | 1H-1, 2, 4-TRIAZOLE-1-PROPANENITRILE, .ALPHA.-BUTYL-.ALPHA.-(4- CHLOROPHENYL)- | AKOS015895793 | .ALPHA.-BUTYL-.ALPHA.-(4-CHLOROPHENYL)-1H-1, 2, 4-TRIAZOLE-1- PROPAN
Especificaciones y pureza
100μg/mL in Hexane, uncertain3%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasCCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
IUPAC Name2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
InChIKeyHZJKXKUJVSEEFU-UHFFFAOYSA-N
INCHI1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
Isómeros SMILES CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
Número ONU 2763
Grupo de embalaje I
Peso molecular 288.78
Reaxy-Rn 7138849
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7138849&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.

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
ClaseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentChlorobenzenes
Alternative Parents Aryl chlorides  Triazoles  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors Conazole fungicides
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Macrophomina phaseolina (474 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
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Eretmocerus eremicus (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cucurbita maxima x Cucurbita moschata (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Amblyseius swirskii (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Podosphaera xanthii (125 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lagenaria siceraria (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Diaporthe ampelina (88 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Orius insidiosus (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Punto de inflamación (°C)>100°C
Punto de ebullición (°C)202-208℃
Punto de fusión (°C)63-68℃
Peso molecular288.770 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass288.114 Da
Monoisotopic Mass288.114 Da
Topological Polar Surface Area54.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity345.000
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
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Baoqiang Hao, Yang Guo, Xueling Bai, Renyuan Zhang, Xiaoqing Li, Jing Li.  (2023)  Direct conversion of cyano group to cyanogen chloride and dichloroacetonitrile in the UV/chlorine process.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148353]
2. 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]
3. 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]
4. Yang Liu, Liqiang Liu, Xinxin Xu, Chuanlai Xu, Liguang Xu.  (2023)  Gold nanoparticle-based lateral flow immunoassay for the rapid detection of flutriafol residues in food.  Materials Chemistry Frontiers,  (5): (955-963).  [PMID:] [10.1039/D2QM01231F]
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. Jing Lian Peng, Yang Fa Rong, Gu Li Li, Li Guo Dong, Li Zeng Liang, Tang Xu Yu, Shi Jun Li.  (2022)  Preparation and application of tebuconazole molecularly imprinted polymer for detection of pesticide residues in tobacco leaves.  JOURNAL OF POLYMER RESEARCH,  29  (5): (1-11).  [PMID:] [10.1007/s10965-022-03036-z]
8. Liu Yang, Xu Xinxin, Liu Liqiang, Xu Liguang, Kuang Hua, Xu Chuanlai.  (2022)  Gold-based lateral-flow strip for the detection of penconazole in watermelon and cucumber samples.  Food Quality and Safety,      [PMID:] [10.1093/fqsafe/fyac007]
9. Qing Zhihe, Li Yacheng, Li Younan, Luo Guoyan, Hu Jinlei, Zou Zhen, Lei Yanli, Liu Juewen, Yang Ronghua.  (2020)  Thiol-suppressed I2-etching of AuNRs: acetylcholinesterase-mediated colorimetric detection of organophosphorus pesticides.  MICROCHIMICA ACTA,  187  (9): (1-9).  [PMID:32803418] [10.1007/s00604-020-04486-2]
10. Jing Zhao, Zhaorui Meng, Zexin Zhao, Longshan Zhao.  (2019)  Ultrasound-assisted deep eutectic solvent as green and efficient media combined with functionalized magnetic multi-walled carbon nanotubes as solid-phase extraction to determine pesticide residues in food products.  FOOD CHEMISTRY,      [PMID:31835214] [10.1016/j.foodchem.2019.125863]
11. 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]
12. Li Younan, Luo Guoyan, Qing Zhihe, Li Xiaoxuan, Zou Zhen, Yang Ronghua.  (2019)  Colorimetric aminotriazole assay based on catalase deactivation-dependent longitudinal etching of gold nanorods.  MICROCHIMICA ACTA,  186  (8): (1-7).  [PMID:31338677] [10.1007/s00604-019-3677-1]
13. Yang Jiale, Fan Chen, Kong Dandan, Tang Gang, Zhang Wenbing, Dong Hongqiang, Liang You, Wang Deng, Cao Yongsong.  (2018)  Synthesis and application of imidazolium-based ionic liquids as extraction solvent for pretreatment of triazole fungicides in water samples.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  410  (6): (1647-1656).  [PMID:29294183] [10.1007/s00216-017-0820-x]
14. 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]
15. Yajie Yue, Min Wang, Yanli Qi, Jiajun Han, Yukun Yang, Jindong Li, Shu Qin, Xu Jing.  (2024)  Design and application of magnetic deep eutectic solvent-based spontaneous liquid-liquid microextraction for the determination of triazole fungicides in water, juice, and wine.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106796]
16. 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]
17. Yi Liu, Jiafei Xie, Yimiao Lin, Ruojia Li, Liang Zhu, Ying Zhou.  (2025)  Influence of sulfur/chlorine-containing pesticides on the aging and heavy metal dynamics of PBAT and LDPE microplastics in soil.  Environmental Science-Processes & Impacts,      [PMID:40888324] [10.1039/D5EM00360A]
18. 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]
19. 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]
20. 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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