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

CAS: 26087-47-8 Cat. No.: I114923 Peso molecular: 288.32 Beilstein Registry Number: 1974687 Número 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

Sinónimos

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

Especificaciones y pureza

analytical standard, ≥99.5%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Pureza

≥99.5%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
• WGK Alemania: 1
• Número ONU: 3082
• Grupo de embalaje: III
• Peso molecular: 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
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

Caco-2 (12174 Activities)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (0.4 mg/ml at 20 °C), methanol, acetonitrile, acetone, and xylene.
• Punto de inflamación (°C): 11°C
• Punto de ebullición (°C): 126°C
• Peso molecular: 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

Referencias

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]