Tris(hexafluoroisopropyl) Borate - ≥95%(GC) , CAS No.6919-80-8

CAS: 6919-80-8 Cat. No.: T162876 Molecular Weight: 511.9 EC Number: 670-976-6 PubChem CID: 2736203

GRADE & PURITY ≥95%(GC)

Synonyms

Boric Acid Tris(hexafluoroisopropyl) Ester | Tris(hexafluoroisopropyl) Borate | tris(1,1,1,3,3,3-hexafluoropropan-2-yl) borate | T71236 | tris(1,1,1,3,3,3-hexafluoroisopro-pyl) borate | BS-23880 | SCHEMBL1484019 | Boric acid tris(2H-hexafluoroisopropyl) e

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Boric Acid Tris(hexafluoroisopropyl) Ester | Tris(hexafluoroisopropyl) Borate | tris(1, 1, 1, 3, 3, 3-hexafluoropropan-2-yl) borate | T71236 | tris(1, 1, 1, 3, 3, 3-hexafluoroisopro-pyl) borate | BS-23880 | SCHEMBL1484019 | Boric acid tris(2H-hexafluoroisopropyl) e

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504761296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761296
• Canonical Smiles: B(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• IUPAC Name: tris(1,1,1,3,3,3-hexafluoropropan-2-yl) borate
• InChIKey: GCMBIWYUVPAPEG-UHFFFAOYSA-N
• INCHI: 1S/C9H3BF18O3/c11-4(12,13)1(5(14,15)16)29-10(30-2(6(17,18)19)7(20,21)22)31-3(8(23,24)25)9(26,27)28/h1-3H
• Isomeric SMILES: B(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• PubChem CID: 2736203
• Molecular Weight: 511.9
• Reaxy-Rn: 1845958

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxoanionic compounds
• Alternative Parents: Organic metalloid salts Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic borate - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxoanionic compounds. These are organic compounds containing an oxoanion.
• 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
• Boil Point(°C): 117-118°C
• Melt Point(°C): 31°C
• Molecular Weight: 511.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 6
• Exact Mass: 511.989 Da
• Monoisotopic Mass: 511.989 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 444.000
• 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. Xinjing Huang, Mengran Wang, Qiyu Wang, Qingyuan Dong, Bo Hong, Jie Li, Yanqing Lai.  (2023)  Acceleration of interfacial kinetics induced by regulation of Li+ desolvation process in lithium metal-based batteries.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2023.233884]

2. Ting Li, Kai Chen, Borui Yang, Kun Li, Bin Li, Miao He, Liu Yang, Anjun Hu, Jianping Long.  (2024)  In situ polymerization of 1,3-dioxolane and formation of fluorine/boron-rich interfaces enabled by film-forming additives for long-life lithium metal batteries.  Chemical Science,      [PMID:39092122] [10.1039/D4SC02010C]