Trimethyloxonium tetrafluoroborate - ≥96% , CAS No.420-37-1

CAS: 420-37-1 Cat. No.: T106614 Molecular Weight: 147.91 Beilstein Registry Number: 3597303 EC Number: 206-994-4 PubChem CID: 2735153

GRADE & PURITY ≥96%

Synonyms

Trimethyloxonium tetrafluorborate | Trimethyloxonium tetrafluoroborate | trimethyl-oxonium tetrafluoroborate | BCP21633 | T1507 | AKOS005063597 | AM20100113 | FT-0632107 | MFCD00011798 | Trimethyloxonium fluoroborate | trimethyloxonium tetraflouroborate |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

A Meerwein salt, strong electrophilic methylating agent . Reagent for the methylation of hydroxyl groups recently used in a complex, multistep synthesis directed towards spirastrellolide, a marine natural product

Specifications

Synonyms

Trimethyloxonium tetrafluorborate | Trimethyloxonium tetrafluoroborate | trimethyl-oxonium tetrafluoroborate | BCP21633 | T1507 | AKOS005063597 | AM20100113 | FT-0632107 | MFCD00011798 | Trimethyloxonium fluoroborate | trimethyloxonium tetraflouroborate |

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C[O+](C)C
• IUPAC Name: trimethyloxidanium;tetrafluoroborate
• InChIKey: CZVZBKHWOFJNCR-UHFFFAOYSA-N
• INCHI: 1S/C3H9O.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C[O+](C)C
• WGK Germany: 3
• PubChem CID: 2735153
• UN Number: 3261
• Molecular Weight: 147.91
• Beilstein: 3597303
• Reaxy-Rn: 3597303

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• 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

• Solubility: Soluble in nitrobenzene, nitromethane, chloroform, hot acetone, liquid sulfur dioxide. Slightly soluble in dichloromethane. Insoluble in common organic solvents.
• Sensitivity: Heat and Moisture sensitive
• Melt Point(°C): 200°C
• Molecular Weight: 147.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 148.068 Da
• Monoisotopic Mass: 148.068 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 27.100
• 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: 2

XLogP3

References

1. Yao Huang, Siyi Huang, Wensheng Liu, Fengyu Tian, Craig A. Grimes, Yi-Ge Zhou, Qingyun Cai.  (2023)  H2O2-responsive dual-peak ratiometric NIR-II fluorescent probe for in situ hepatic oxidative stress level monitoring.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2023.134823]

2. Mingxin Ye, Hui Li, Hongjun Luo, Yongyin Zhou, Wenhong Luo, Zhexuan Lin.  (2023)  Potential Antioxidative Activity of Homocysteine in Erythrocytes under Oxidative Stress.  Antioxidants,  12  (1): (202).  [PMID:36671064] [10.3390/antiox12010202]

3. Wei Cai, Jincheng Liu, Yijun Luo, Zewei Liao, Bingjie Li, Xiaoyan Xiang, Yanxiong Fang.  (2024)  Bifunctional CdS-MoO2 catalysts for selective oxidation of lactic acid coupled with photocatalytic H2 production.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39002234] [10.1016/j.jcis.2024.07.081]

4. Wei Cai, Jincheng Liu, Zewei Liao, Yijun Luo, Xiaoyan Xiang, Bingjie Li, Wenxin Yang, Yanxiong Fang.  (2025)  Interface-engineered CdZnS/PDI S-scheme photocatalyst with synergistic effects for enhanced hydrogen production.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.182463]