Trimethoxy(1H,1H,2H,2H-nonafluorohexyl)silane - ≥97%(GC) , CAS No.85877-79-8

CAS: 85877-79-8 Cat. No.: T162307 Molecular Weight: 368.27 EC Number: 619-574-4 PubChem CID: 15651659

GRADE & PURITY ≥97%(GC)

Synonyms

((Perfluorobutyl)ethyl)trimethoxysilane | IJROHELDTBDTPH-UHFFFAOYSA-N | T2918 | Trimethoxy(1H,1H,2H,2H-nonafluorohexyl)silane, >/=97% | AKOS022186733 | Trimethoxy(1H,1H,2H,2H-perfluorohexyl)silane | DTXSID10576342 | MFCD08275518 | T73003 | Trimethoxy(3,3,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

((Perfluorobutyl)ethyl)trimethoxysilane | IJROHELDTBDTPH-UHFFFAOYSA-N | T2918 | Trimethoxy(1H, 1H, 2H, 2H-nonafluorohexyl)silane, >/=97% | AKOS022186733 | Trimethoxy(1H, 1H, 2H, 2H-perfluorohexyl)silane | DTXSID10576342 | MFCD08275518 | T73003 | Trimethoxy(3, 3,

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504767924
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767924
• Canonical Smiles: CO[Si](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(OC)OC
• IUPAC Name: trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
• InChIKey: IJROHELDTBDTPH-UHFFFAOYSA-N
• INCHI: 1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
• Isomeric SMILES: CO[Si](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(OC)OC
• PubChem CID: 15651659
• Molecular Weight: 368.27
• Reaxy-Rn: 6334574

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: Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

• Sensitivity: Moisture sensitive
• Refractive Index: 1.3360 to 1.3400
• Flash Point(°F): 71°C
• Flash Point(°C): 71°C
• Boil Point(°C): 43°C/6mmHg
• Molecular Weight: 368.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 368.049 Da
• Monoisotopic Mass: 368.049 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 360.000
• 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

XLogP3

References

1. Zhenxiao Li, Tingjie Hu, Juan Yang, Xia Yu, Fanyun Su, Qixian Bai, Yayun Ma, Yanchun Song, Ming Jia, Xiangyang Zhou, Jingjing Tang.  (2023)  In Situ Constructing of Rigid-Soft Coupling Solid–Electrolyte Interphase on Silicon Electrode toward High-Performance Lithium Ion Batteries.  Small,      [PMID:37858930] [10.1002/smll.202305991]