Triethyl 2-fluoro-2-phosphonoacetate - ≥96% , CAS No.2356-16-3

CAS: 2356-16-3 Cat. No.: T140253 Molecular Weight: 242.18 Beilstein Registry Number: 1912161 EC Number: 627-648-2 PubChem CID: 2734865

GRADE & PURITY ≥96%

Synonyms

AM61425 | Triethyl 2-fluoro-2-phosphonoacetate | Triethyl fluorophosphonoacetate | ethyl 2-diethoxyphosphoryl-2-fluoroacetate | EN300-98009 | ethyl diethylphosphonofluoroacetate | ethyl diethyl-phosphono-fluoroacetate | ethyl diethyl-phosphono-fluoro-acet

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AM61425 | Triethyl 2-fluoro-2-phosphonoacetate | Triethyl fluorophosphonoacetate | ethyl 2-diethoxyphosphoryl-2-fluoroacetate | EN300-98009 | ethyl diethylphosphonofluoroacetate | ethyl diethyl-phosphono-fluoroacetate | ethyl diethyl-phosphono-fluoro-acet

Specifications & Purity

≥96%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488192678
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192678
• Canonical Smiles: CCOC(=O)C(F)P(=O)(OCC)OCC
• IUPAC Name: ethyl 2-diethoxyphosphoryl-2-fluoroacetate
• InChIKey: FVPISMANESAJQZ-UHFFFAOYSA-N
• INCHI: 1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
• Isomeric SMILES: CCOC(=O)C(F)P(=O)(OCC)OCC
• WGK Germany: 3
• PubChem CID: 2734865
• Molecular Weight: 242.18
• Beilstein: 1912161
• Reaxy-Rn: 1912161

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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

Chemical and Physical Properties

• Sensitivity: light sensitive；Moisture sensitive
• Refractive Index: 1.425
• Flash Point(°F): 163.4 °F
• Flash Point(°C): 73 °C
• Boil Point(°C): 75 °C
• Molecular Weight: 242.180 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 242.072 Da
• Monoisotopic Mass: 242.072 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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

1. Fangyan Liu, Tingfang Lan, Kunlin Chen, Qiyu Wang, Zeyu Huang, Chenyang Shi, Shuai Zhang, Shihao Li, Mengran Wang, Bo Hong, Zhian Zhang, Jie Li, Yanqing Lai.  (2023)  In Situ Polymerized Flame Retardant Gel Electrolyte for High-Performance and Safety-Enhanced Lithium Metal Batteries.  ACS Applied Materials & Interfaces,      [PMID:37141507] [10.1021/acsami.3c01998]

2. Jiaming Zhang, Hongxiang Kuai, Yike Liu, Zhenbiao Li, Pinjuan Zou, Jianhao Lin, Chuang Ji, Xunhui Xiong.  (2025)  Construction of a robust and high ion-conductivity SEI using a multifunctional additive to achieve high-rate and large-capacity lithium metal anodes.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA06906H]