Boron trifluoride diethyl etherate - for synthesis , CAS No.109-63-7

CAS: 109-63-7 Cat. No.: B431395 Formula: C₄H₁₀BF₃O Molecular Weight: 141.93 Beilstein Registry Number: 3909607 EC Number: 203-689-8 PubChem CID: 8000

GRADE & PURITY for Synthesis

Synonyms

boron trifluorideetherate | boron trifluoride-etherate | boron trifloride etherate | ethoxyethane;trifluoroborane | diethyl ether trifluoroborane | borontriflouride etherate | borontrifluoride etherate | BF3 OEt2 | DTXSID601015537 | A802065 | Ethyl ether,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Application

Lewis acid reagent with broad application Catalyst used in the preparation of cyclopentyl- and cycloheptyl[b]indoles from aryl cyclopropyl ketones via [3+2] cycloaddition.

Specifications

Synonyms

boron trifluorideetherate | boron trifluoride-etherate | boron trifloride etherate | ethoxyethane;trifluoroborane | diethyl ether trifluoroborane | borontriflouride etherate | borontrifluoride etherate | BF3 OEt2 | DTXSID601015537 | A802065 | Ethyl ether,

Specifications & Purity

for synthesis

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

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

Grade

for Synthesis

Names and Identifiers

Pubchem Sid

488180645

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180645

Canonical Smiles

B(F)(F)F.CCOCC

IUPAC Name

ethoxyethane;trifluoroborane

InChIKey

KZMGYPLQYOPHEL-UHFFFAOYSA-N

INCHI

1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;

Isomeric SMILES

B(F)(F)F.CCOCC

WGK Germany

1

PubChem CID

8000

UN Number

2604

Packing Group

I

Molecular Weight

141.93

Beilstein

3909607

Reaxy-Rn

3909607

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metalloid salt - Dialkyl ether - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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: air sensitive；Moisture sensitive
• Refractive Index: 1.348
• Flash Point(°F): 137.3 °F - closed cup
• Flash Point(°C): <22℃
• Boil Point(°C): 125.7°C
• Melt Point(°C): -60.4°C
• Molecular Weight: 141.930 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 142.078 Da
• Monoisotopic Mass: 142.078 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 19.100
• 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

Frequently Asked Questions

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-63-7, the molecular formula is C4H10BF3O, and the molecular weight is 141.93 g/mol. InChIKey KZMGYPLQYOPHEL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.