(Diethylphosphatoethyl)triethoxysilane - ≥95% , CAS No.757-44-8

CAS: 757-44-8 Cat. No.: D492194 Formula: C₁₂H₂₉O₆PSi Molecular Weight: 328.41 EC Number: 212-056-5

GRADE & PURITY ≥95%

Synonyms

(Diethylphosphatoethyl)triethoxysilane | Phosphonic acid, P-(2-(triethoxysilyl)ethyl)-, diethyl ester | 2-(Diethoxyphosphinyl)ethyltriethoxysilane | C12H29O6PSi | DIETHYL 2-(TRIETHOXYSILYL)ETHYLPHOSPHONATE | (EtO)3SiCH2CH2PO(OEt)2 | 2-Diethoxyphosphorylet

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(Diethylphosphatoethyl)triethoxysilane | Phosphonic acid, P-(2-(triethoxysilyl)ethyl)-, diethyl ester | 2-(Diethoxyphosphinyl)ethyltriethoxysilane | C12H29O6PSi | DIETHYL 2-(TRIETHOXYSILYL)ETHYLPHOSPHONATE | (EtO)3SiCH2CH2PO(OEt)2 | 2-Diethoxyphosphorylet

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

488184404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184404

Canonical Smiles

CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC

IUPAC Name

2-diethoxyphosphorylethyl(triethoxy)silane

InChIKey

RGAHQVPQZZNNOV-UHFFFAOYSA-N

INCHI

1S/C12H29O6PSi/c1-6-14-19(13,15-7-2)11-12-20(16-8-3,17-9-4)18-10-5/h6-12H2,1-5H3

Isomeric SMILES

CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC

Molecular Weight

328.41

Reaxy-Rn

2282559

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2282559&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Dialkyl alkylphosphonates Phosphonic acid esters Silyl ethers Organoheterosilanes Organic metalloid salts Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Phosphonic acid diester - Dialkyl alkylphosphonate - Phosphonic acid ester - Organophosphonic acid derivative - Silyl ether - Organic metalloid salt - Organoheterosilane - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic 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

Chemical and Physical Properties

• Boil Point(°C): 141°
• Molecular Weight: 328.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 328.147 Da
• Monoisotopic Mass: 328.147 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 262.000
• 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

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