Iprobenfos - analytical standard, ≥99.5% , CAS No.26087-47-8

CAS: 26087-47-8 Cat. No.: I114923 Formula: C₁₃H₂₁O₃PH Peso molecolare: 288.32 Beilstein Registry Number: 1974687 Numero EC: 247-449-0

GRADE & PURITY Analytical standard, ≥99.5%

Synonyms

Isokitazine; Kitazin 17; Kitazin L; Kitazin P;IBP | O,O-Diisopropyl-S-benzylester kyseliny thiofosforecne | O,O-Bis(1-methylethyl) S-(phenylmethyl)phosphorothioate | Q15632755 | S-benzyl-O,O'-diisopropylphosphorothiolate | di(propan-2-yloxy)phosphorylsulf

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

Isokitazine; Kitazin 17; Kitazin L; Kitazin P;IBP | O,O-Diisopropyl-S-benzylester kyseliny thiofosforecne | O,O-Bis(1-methylethyl) S-(phenylmethyl)phosphorothioate | Q15632755 | S-benzyl-O,O'-diisopropylphosphorothiolate | di(propan-2-yloxy)phosphorylsulf

Specifiche e purezza

analytical standard, ≥99.5%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Purezza

≥99.5%

Nomi e identificatori

• Pubchem Sid: 528771793
• Sorrisi canonici: CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
• IUPAC Name: di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
• InChIKey: FCOAHACKGGIURQ-UHFFFAOYSA-N
• INCHI: 1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
• Isomeri SMILES: CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
• WGK Germania: 1
• Numero UN: 3082
• Gruppo di imballaggio: III
• Peso molecolare: 288.32
• Beilstein: 1974687
• Reaxy-Rn: 1974687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1974687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Sulfenyl compounds Organothiophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Organophosphorus fungicides

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

Obiettivi associati (umani)

Caco-2 (12174 Activities)

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

Obiettivi associati (non umani)

Athelia rolfsii (768 Activities)

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

Pyricularia oryzae (1832 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (0.4 mg/ml at 20 °C), methanol, acetonitrile, acetone, and xylene.
• Punto di infiammabilità (°C): 11°C
• Punto di ebollizione (°C): 126°C
• Peso molecolare: 288.340 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 288.095 Da
• Monoisotopic Mass: 288.095 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 261.000
• 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

Riferimenti

1. Xu Jinjie, Li Yongli, Yu Lihong, Pang Yuehong, Shen Xiaofang, Liu Jun.  (2023)  Metal–organic frameworks modified melamine foam in pipette-tip for rapid solid-phase extraction of organophosphorus pesticides in fruits and vegetables.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  30  (50): (108774-108782).  [PMID:37755595] [10.1007/s11356-023-30055-0]

2. Feng Luo, Yue Tang, Jia Zheng, Zhengmin Xie, Junjun Wang, Jianli Zhou, Yuangen Wu.  (2023)  Smartphone-assisted colorimetric aptasensor for rapid detection of carbendazim residue in agriculture products based on the oxidase-mimicking activity of octahedral Ag2O nanoparticles.  TALANTA,      [PMID:37385190] [10.1016/j.talanta.2023.124845]

3. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]

4. Linghui Huang, Yue Tang, Jianxun Han, Xiaojuan Niu, Xin Lin, Yuangen Wu.  (2024)  A stable colorimetric biosensor for highly selective detection of malathion residue in food based on aptamer-regulated laccase-mimic activity.  FOOD CHEMISTRY,      [PMID:38428076] [10.1016/j.foodchem.2024.138842]

5. Yan Zhou, Jinlong Wang, Wangni Meng, Lian Xia, Yue Tang, Jianli Zhou, Yuangen Wu, Pengcheng Yan.  (2025)  Smartphone-assisted colorimetric aptasensor for detecting acetamiprid residue in food based on the enhanced laccase-mimic activity of spherical Ag2O nanoparticles.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116715]