Diethyl Chlorothiophosphate - ≥97%(GC) , CAS No.2524-04-1

CAS: 2524-04-1 Cat. No.: D156020 Summenformel: C₄H₁₀ClO₂PS Molekulargewicht: 188.61 EG-Nummer: 219-755-4

GRADE & PURITY ≥97%(GC)

Synonyms

CAS-2524-04-1 | Diethyl phosphorochloridothionate 100 microg/mL in Acetonitrile | Diethyl chlorothiophosphate | EN300-247255 | NCGC00248890-01 | NSC43776 | NSC-43776 | Diethoxythiophosphoryl chloride | Ethyl PCT | O,O-Diethyl thionophosphoric chloride | 4

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

CAS-2524-04-1 | Diethyl phosphorochloridothionate 100 microg/mL in Acetonitrile | Diethyl chlorothiophosphate | EN300-247255 | NCGC00248890-01 | NSC43776 | NSC-43776 | Diethoxythiophosphoryl chloride | Ethyl PCT | O,O-Diethyl thionophosphoric chloride | 4

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 508814423
• Kanonisches Lächeln: CCOP(=S)(OCC)Cl
• IUPAC Name: chloro-diethoxy-sulfanylidene-λ5-phosphane
• InChIKey: KMJJJTCKNZYTEY-UHFFFAOYSA-N
• INCHI: 1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
• Isomere SMILES: CCOP(=S)(OCC)Cl
• RTECS: TD1780000
• UN-Nummer: 2751
• Verpackungsgruppe: II
• Molekulargewicht: 188.61
• Reaxy-Rn: 471434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471434&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophosphoric acid esters
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiophosphoric acid ester - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group.
• External Descriptors: Not available

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Brechungsindex: 1.4700 to 1.4740
• Flammpunkt (°F): 197.6 °F
• Flammpunkt (°C): 92°C
• Siedepunkt (°C): 45 °C/3 mmHg (lit.)
• Molekulargewicht: 188.610 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 187.983 Da
• Monoisotopic Mass: 187.983 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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

Referenzen

1. Feng Jiang, Wanqin Wu, Zhengwei Zhu, Songsong Zhu, Huixia Wang, Li Zhang, Zhiyong Fan, Yiping Chen.  (2022)  Structure identification and toxicity evaluation of one newly-discovered dechlorinated photoproducts of chlorpyrifos.  CHEMOSPHERE,      [PMID:35523292] [10.1016/j.chemosphere.2022.134822]

2. Chao Sun, Qiushuang Ma, Liya Feng, Jianbo Ji, Dandan Du, Pengfei Shang, Xiuli Guo.  (2024)  MCP-enhanced SOD3 activity inhibits gastric cancer and potentiate chemotherapy via modulating EGFR signaling.  LIFE SCIENCES,      [PMID:39746602] [10.1016/j.lfs.2024.123358]

3. Ri-Sheng Chen, Jian-Cheng Yuan, Chong-Lan Luo, Yu Wang, Zi-Jian Chen, Ze-Shan Lin, Zhen-Lin Xu.  (2024)  Monoclonal antibody based colloidal gold immunochromatographic assay for the visual and rapid screening of profenofos.  ENVIRONMENTAL POLLUTION,      [PMID:39214446] [10.1016/j.envpol.2024.124848]

4. Tianyang You, Zhijia Wang, Shiyuan Yang, Jitao Wang, Yuan Ding, Lufei Zheng, Xiude Hua.  (2025)  Optimized Electrofusion for Efficient Generation of Monoclonal Antibodies against Chlorpyrifos and Its Application in Lateral Flow Immunoassay.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41088520] [10.1021/acs.jafc.5c09697]