Pyraclostrobin - ≥97% , CAS No.175013-18-0

CAS: 175013-18-0 Cat. No.: P769260 Molecular Weight: 387.82 EC Number: 605-747-1 PubChem CID: 6422843

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
• IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
• InChIKey: HZRSNVGNWUDEFX-UHFFFAOYSA-N
• INCHI: 1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
• Isomeric SMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
• PubChem CID: 6422843
• UN Number: 3077
• Molecular Weight: 387.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Phenylcarbamic acid esters Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Phenylpyrazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: carbamate ester - pyrazoles - aromatic ether - monochlorobenzenes - carbanilate fungicide - methoxycarbanilate strobilurin antifungal agent

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 387.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 387.099 Da
• Monoisotopic Mass: 387.099 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 476.000
• 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

References

1. Yexuan Hu, Tongqing Liu, Shuanglei Wang, Meijin Lv, Yongxin She, Bin Cao, Ziping Zhang, Xiaolin Cao.  (2023)  Preparation of magnetic molecularly imprinted polymers for the selective extraction of strobilurin fungicides in agricultural products.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105564]

2. Nan Hai, Xue Liu, Yaqi Li, Fanyu Kong, Yizhi Zhang, Song Fang.  (2020)  Effects of Microplastics on the Adsorption and Bioavailability of Three Strobilurin Fungicides.  ACS Omega,      [PMID:33283116] [10.1021/acsomega.0c04787]

3. Xiangwu Liu, Ya Yang, Ya Chen, Qingtao Zhang, Ping Lu, Deyu Hu.  (2019)  Dissipation, residues and risk assessment of oxine-copper and pyraclostrobin in citrus.  Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,      [PMID:31361184] [10.1080/19440049.2019.1640894]

4. Haoyu Lei, Yuling Hu, Gongke Li.  (2018)  Magnetic poly(phenylene ethynylene) conjugated microporous polymer microspheres for bactericides enrichment and analysis by ultra-high performance liquid chromatography-tandem mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30384964] [10.1016/j.chroma.2018.10.043]

5. Yongqing Yang, Yong Wang, Jing Gao, Zhidan Shi, Wenjin Chen, Haiyan Huangfu, Zhengnan Li, Yan Liu.  (2024)  Characterisation of Fusarium oxysporum f. sp. radicis-lycopersici in Infected Tomatoes in Inner Mongolia, China.  Journal of Fungi,  10  (9): (622).  [PMID:39330382] [10.3390/jof10090622]

6. Jin Liu, Wei Pan, Suzhen Li, Yuanjun Nie, Xinyuan Bi, Xu Jing, Li Li.  (2025)  Green solvent-based high-throughput dispersive liquid-liquid microextraction for detecting strobilurin fungicides in environmental water samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40138787] [10.1016/j.chroma.2025.465888]

7. Yuxin Wang, Yulin Wang, Jizhen Fu, Suzhen Li, Yawen Zhang, Xiaojiao Zheng, Jin Liu, Li Li, Xu Jing.  (2025)  Semi-automatic emulsification liquid-liquid microextraction with deep eutectic solvent for the determination of strobilurin fungicides in food samples.  TALANTA,      [PMID:39923671] [10.1016/j.talanta.2025.127692]

8. Jifan Chen, Xuhua Li, Xiangyu Li, Jing Wu, Xiaoli Han, Haihua Wang, Dong Yang.  (2025)  A ratiometric molecularly imprinted electrochemical sensor based on fluorine-doped ferric oxyhydroxide nanorods for highly sensitive detection of carbendazim.  ANALYTICA CHIMICA ACTA,      [PMID:41513379] [10.1016/j.aca.2025.344854]