CAS 109-63-7|Boron trifluoride diethyl ether complex|ethoxyethane; trifluoroborane|Trifluoroborane diethyl ether complex|boron trifluoride; diethyl ether|三氟化硼乙醚|Boron trifluoride diethyl ether...

General Information

Structure

Molecular Formula

C₄H₁₀BF₃O

Molecular Mass

141.9278096

Exact Mass

142.07768

Charge

InChI

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

InChIKey

KZMGYPLQYOPHEL-UHFFFAOYSA-N

Canonic Smiles

FB(F)F.CCOCC

Isomeric Smiles

FB(F)F.O(CC)CC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.83816534

LogD (pH = 7.4)

0.83816534

Log P

0.83816534

Molar Refractivity

22.5097

Polarizability

8.788117

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Boron trifluoride diethyl ether complexTrifluoroborane diethyl ether complex三氟化硼乙醚Boron trifluoride diethyl etheratemin, packaged under Argon in resealable ChemSeal? bottlesBoron fluoride-etherBoron trifluoride etherate

IUPAC name

ethoxyethane; trifluoroborane

IUPAC Traditional name

boron trifluoride; diethyl ether

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

EC Number

Merck Index

MDL Number

Beilstein Number

Registration numbers

Properties

Safety Information

GHS Hazard statements

H331-H302-H372-H314-H318-H226

Risk Statements

10-22-23-35-48/23

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Toxic (T)

是

UN2604

Moisture Sensitive

P260-P280-P303+P361+P353-P305+P351+P338-P310

P260-P280-P305+P351+P338-P309-P310

23-26-36/37/39-45

Product Information

Purity

98+%

46.5% BF

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

From Data Sources

• For use in the cleavage of ethers, see Tetra-n-butylammonium iodide, A15484.

• Catalyst for the reaction of allyltin reagents with aldehydes and ketones. Addition to the carbonyl group proceeds with allylic rearrangement: Chem. Lett., 919, 977 (1979); Acc. Chem. Res., 20, 243 (1987):

• Mild dehydration of tertiary alcohols to alkenes: Tetrahedron Lett., 32, 6489 (1991). In the Diels-Alder reaction: J. Am. Chem. Soc., 99, 8116 (1977). In THP protection of alcohols: Synthesis, 81, (1972).

• For analogous 1,4-addition to p-benzoquinones, see 2,3-Dimethoxy-5-methyl-1,4-benzoquinone, B24777.

• Reaction with ortho esters gives high yields of crystalline dialkoxycarbenium salts, useful as powerful and selective alkylating agents, (compare Triethyloxonium tetrafluoroborate, A14420 and Trimethyloxonium tetrafluoroborate, A15175): Synth. Commun., 19, 2307 (1989).

• Catalyst for rearrangement of epoxides to carbonyl compounds, e.g. stilbene oxide to diphenylacetaldehyde and ring-contraction of isophorone oxide: Org. Synth. Coll., 4, 375 and 957 (1963), respectively.

• Has also been used in conjunction with BMS in the reduction of amides: J. Org. Chem., 47, 3153 (1982).

• Lewis acid catalyst in a wide variety of applications, for example:

• Reaction with Sodium borohydride, 35788, can be used for the in situ generation of diborane. For use in the hydroboration of ɑ-pinene, see: Org. Synth. Coll., 6, 943 (1988).

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC name

ethoxyethane; trifluoroborane

IUPAC Traditional name

boron trifluoride; diethyl ether

Registration numbers

CAS Number

PubChem SID

PubChem CID

EC Number

Merck Index

MDL Number

Beilstein Number

References

PubChem Literature

From Data Sources

• For use in the cleavage of ethers, see Tetra-n-butylammonium iodide, A15484.

• For analogous 1,4-addition to p-benzoquinones, see 2,3-Dimethoxy-5-methyl-1,4-benzoquinone, B24777.

• Has also been used in conjunction with BMS in the reduction of amides: J. Org. Chem., 47, 3153 (1982).

• Lewis acid catalyst in a wide variety of applications, for example:

• Reaction with Sodium borohydride, 35788, can be used for the in situ generation of diborane. For use in the hydroboration of ɑ-pinene, see: Org. Synth. Coll., 6, 943 (1988).

Bioactivity

PubChem BioAssay

Properties

Safety Information

GHS Hazard statements

H331-H302-H372-H314-H318-H226

Risk Statements

10-22-23-35-48/23

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Toxic (T)

是

UN2604

Moisture Sensitive

P260-P280-P303+P361+P353-P305+P351+P338-P310

P260-P280-P305+P351+P338-P309-P310

23-26-36/37/39-45

Product Information

Purity

98+%

46.5% BF

Molecule

ID:98870