Purity reference material of isocarbophos pesticide - ≥99.4%, U=0.4%(k=2) , CAS No.24353-61-5

CAS: 24353-61-5 Cat. No.: P283861 Molecular Weight: 289.29 EC Number: 246-192-1 PubChem CID: 90479

GRADE & PURITY ≥99.4%, U=0.4%(k=2)

Synonyms

DL-5-Hydroxylysine (hydrochloride) | O-Methyl O-[2-(isopropoxycarbonyl)phenyl] phosphoramidothioate | Isocarbofos 1000 microg/mL in Acetone | CHEBI:38704 | AI3-27659 | DTXCID5022063 | O-Methylphosphoramidothioate, O-ester with isopropyl salicylate | Pesti

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice,FedEx DG Service

Overview

The sample should be balanced to room temperature before use. After opening, the seal should be restored as soon as possible and stored under the specified conditions. This reference material is a kind of toxic and harmful substance. When using it, pay attention to protection and avoid inhalation or contact with skin.

Specifications

Synonyms

DL-5-Hydroxylysine (hydrochloride) | O-Methyl O-[2-(isopropoxycarbonyl)phenyl] phosphoramidothioate | Isocarbofos 1000 microg/mL in Acetone | CHEBI:38704 | AI3-27659 | DTXCID5022063 | O-Methylphosphoramidothioate, O-ester with isopropyl salicylate | Pesti

Specifications & Purity

≥99.4%, U=0.4%(k=2)

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice, FedEx DG Service

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

Purity

≥99.4%

Names and Identifiers

• Canonical Smiles: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
• IUPAC Name: propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
• InChIKey: YFVOXLJXJBQDEF-UHFFFAOYSA-N
• INCHI: 1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)
• Isomeric SMILES: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
• PubChem CID: 90479
• UN Number: 3464
• Molecular Weight: 289.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Thiophosphoric acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Benzoyl - Organic thiophosphoric acid or derivatives - Thiophosphoric acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: salicylates - organic phosphonate - phosphonic ester - organothiophosphate insecticide

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

• Sensitivity: Light sensitive.
• Molecular Weight: 289.290 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 289.054 Da
• Monoisotopic Mass: 289.054 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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6. Luo Danqiu, Chen Huayun, Zhou Pei, Tao Han, Wu Yuangen.  (2019)  Oligonucleotides and pesticide regulated peroxidase catalytic activity of hemin for colorimetric detection of isocarbophos in vegetables by naked eyes.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (29): (7857-7868).  [PMID:31705220] [10.1007/s00216-019-02185-3]

7. Lei Tan, Manli Guo, Jiean Tan, Yuanyuan Geng, Shuyi Huang, Youwen Tang, Chaochin Su, ChunChe Lin, Yong Liang.  (2019)  Development of high-luminescence perovskite quantum dots coated with molecularly imprinted polymers for pesticide detection by slowly hydrolysing the organosilicon monomers in situ.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.04.079]

8. Huan Li, Hongyu Chen, Mingxia Li, Qiujun Lu, Youyu Zhang, Shouzhuo Yao.  (2019)  Template protection of gold nanoclusters for the detection of organophosphorus pesticides.  NEW JOURNAL OF CHEMISTRY,  43  (14): (5423-5428).  [PMID:] [10.1039/C9NJ01007F]

9. Kang Yan, Li Long, Chen Wanchao, Zhang Feiyu, Du Yiping, Wu Ting.  (2018)  Rapid In Situ SERS Analysis of Pesticide Residues on Plant Surfaces Based on Micelle Extraction of Targets and Stabilization of Ag Nanoparticle Aggregates.  Food Analytical Methods,  11  (11): (3161-3169).  [PMID:] [10.1007/s12161-018-1290-2]

10. Huayun Chen, Yuangen Wu, Wenping Yang, Shenshan Zhan, Shuyi Qiu, Pei Zhou.  (2016)  Ultrasensitive and selective detection of isocarbophos pesticide based on target and random ssDNA triggered aggregation of hemin in polar organic solutions.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2016.12.014]

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12. Hui Ouyang, Limin Wang, Shijia Yang, Wenwen Wang, Lin Wang, Fengquan Liu, Zhifeng Fu.  (2015)  Chemiluminescence Reaction Kinetics-Resolved Multianalyte Immunoassay Strategy Using a Bispecific Monoclonal Antibody as the Unique Recognition Reagent.  ANALYTICAL CHEMISTRY,      [PMID:25622025] [10.1021/ac5045093]

13. 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]

14. Yue Tang, Xiangqiang Zhan, Jia Zheng, Zhengmin Xie, Shuangju Zhu, Yuangen Wu.  (2023)  Facile colorimetric smartphone-based biosensor for rapid detection of organophosphorus pesticides residues in environment using the aptamer-enhanced oxidase activity of octahedral Ag2O particles.  ANALYTICA CHIMICA ACTA,      [PMID:37230725] [10.1016/j.aca.2023.341325]