Boron trifluoride diethyl etherate - ≥95% , CAS No.109-63-7

CAS: 109-63-7 Cat. No.: B299094 Formula: C₄H₁₀BF₃O Molecular Weight: 141.93 Beilstein Registry Number: 3909607 EC Number: 203-689-8 PubChem CID: 8000

GRADE & PURITY ≥95%

Synonyms

Boron trifluoride etherate|109-63-7|Borontrifluorideetherate|ethoxyethane;trifluoroborane|Boron trifluoride ethyl ether|Boron trifluoride-diethyl etherate|ethoxyethane; trifluoroborane|174674-80-7|BF3.Et2O|boron trifluoride diethyl ether|boron trifluoride

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

Overview

Usually used in the preparation of cyclopentyl- and cycloheptyl[b]indoles from aryl cyclopropyl ketones via [3+2] cycloaddition.

Specifications

Synonyms

Boron trifluoride etherate | 109-63-7 | Borontrifluorideetherate | ethoxyethane;trifluoroborane | Boron trifluoride ethyl ether | Boron trifluoride-diethyl etherate | ethoxyethane; trifluoroborane | 174674-80-7 | BF3.Et2O | boron trifluoride diethyl ether | boron trifluoride

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

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

Purity

≥95%

Names and Identifiers

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

• Solubility: Miscible with ether and alcohol.
• Sensitivity: Air sensitive,Hygroscopic
• 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

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