Diethyl hydrogen phosphate - 10mM in DMSO , CAS No.598-02-7

CAS: 598-02-7 Cat. No.: D424974 Peso molecular: 154.1 Número EC: 209-912-5

GRADE & PURITY 10mM in DMSO

Synonyms

BRN 1704113 | diethylphosphate | diethoxyphosphinic acid | NSC-289395 | diethyl hydrogen phosphate | DPF | O,O-Diethyl hydrogen phosphate | Diethyl acid phosphate | O,O-Diethyl phosphate | ETHYL PHOSPHATE ((C2H5O)2(HO)PO) | CHEBI:27708 | F15034 | Q2684102

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

BRN 1704113 | diethylphosphate | diethoxyphosphinic acid | NSC-289395 | diethyl hydrogen phosphate | DPF | O, O-Diethyl hydrogen phosphate | Diethyl acid phosphate | O, O-Diethyl phosphate | ETHYL PHOSPHATE ((C2H5O)2(HO)PO) | CHEBI:27708 | F15034 | Q2684102

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(O)OCC
• IUPAC Name: diethyl hydrogen phosphate
• InChIKey: UCQFCFPECQILOL-UHFFFAOYSA-N
• INCHI: 1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
• Isómeros SMILES: CCOP(=O)(O)OCC
• Peso molecular: 154.1
• Reaxy-Rn: 1704113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1704113&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• External Descriptors: dialkyl phosphate

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive
• Punto de ebullición (°C): 200.27°C
• Peso molecular: 154.100 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 154.039 Da
• Monoisotopic Mass: 154.039 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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. Zhongwei Wang, Shoulu Yang, Zhu Liu, Fangjun Ding, Ning Ji, Yiqiang Wu.  (2022)  Tung oil-based phosphorus-containing polyol as a flame retardant for bamboo.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2022.130240]

2. Peng Zhang, Yaqing Cui, Ren Shi, Jing Wang, Linke Ge, Qinglin Mu.  (2024)  Occurrence and ecological risks of organophosphate esters in the sediments of Hangzhou Bay and the East China Sea.  MARINE POLLUTION BULLETIN,      [PMID:39615336] [10.1016/j.marpolbul.2024.117332]

3. Zijing Bai, Yumeng Wang, Wei Shi, Peng Gao, Zengyun Jian.  (2025)  Tribological properties of amidoxime-based protic ionic liquids as lubricant additives for PAO10.  Results in Surfaces and Interfaces,      [PMID:] [10.1016/j.rsurfi.2025.100519]

4. Qing Peng, Chenxin Qiu, Pengcheng Huang, Fang-Ying Wu.  (2025)  An integrated ratiometric fluorescent probe based on the MOF-on-MOF heterostructure for sensitive detection of nerve agent simulant.  TALANTA,      [PMID:40582111] [10.1016/j.talanta.2025.128528]