Basic information
- CAS
368-39-8- Standard SMILES
CC[O+](CC)CC.F[B-](F)(F)F- InChIKey
IYDQMLLDOVRSJJ-UHFFFAOYSA-N- Molecular formula
- C6.H15.O.B.F4
- Average molar mass
- 189.99 g/mol
- Monoisotopic mass
- 190.11520838
Overview
a trialkyloxonium salt (Meerweins' reagents)
Names & identifiers
- Preferred name
- Triethyloxonium tetrafluoroborate
- IUPAC
- triethyloxidanium tetrafluoroborate
- English name
- Triethyloxonium tetrafluoroborate
- Molecular formula
- C6H15BF4O
- Molecular weight
- 189.99
Names & synonyms
Triethyloxonium tetrafluoroborate368-39-8Z0B19DD36JOxonium, triethyl-, tetrafluoroborate(1-)NSC-176023DTXSID20883372RefChem:191546DTXCID601022908triethyloxonium, tetrafluoroborate(1-)206-705-1Triethyloxonium fluoroborateTriethyloxonium fluoborate
Show more names
Meerwein salttriethyloxoniumMEERWEIN'S REAGENTSKL1448SKL1562TRIETHYLOXTriethyloxytetrafluoroborateTriethyloxonium terafluoroborate
Triethyloxonium borofluorideTriethoxonium fluoroborateTriethyloxonium tetrafluoroborate(1-)Boron tetrafluoride triethyl oxoniumUNII-Z0B19DD36Jtriethyloxidanium;tetrafluoroborateEINECS 206-705-1MFCD00044423
Database identifiers
- CAS
368-39-8- PubChem CID
- 2723982
- DTXSID
DTXSID20883372
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 44.8
Physicochemical properties
- Melting point
- 96 · 96-97°C
- Density
- 1.328 g/mL · 1.328 g/mL at 25 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/mL, · methylene chloride: 20 mg/mL, clear, colorless
- form
- Powder
- color
- White
- Water Solubility
- REACTS
- Sensitive
- Moisture Sensitive
- Merck
- 14 · 14,5796
- BRN
- 3598090 · 3598090
- InChI
- InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
- InChIKey
- IYDQMLLDOVRSJJ-UHFFFAOYSA-N
- SMILES
- [B-](F)(F)(F)F.[O+](CC)(CC)CC
- CAS DataBase Reference
- 368 · 368-39-8(CAS DataBase Reference)
- FDA UNII
- 0 B19DD36J · Z0B19DD36J
- EPA Substance Registry System
- Oxonium, triethyl-, tetrafluoroborate(1-) (368-39-8)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationTriethyloxonium tetrafluoroborate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety & protection
Protective Action Criteria (PAC)
19 [mg/m3]
210 [mg/m3]
1300 [mg/m3]
Safety data
- F
- 3-10-16-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RR4584700
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29420000
- Toxicity
- dnd-smc 500 mmol/L CPBTAL 23,2485,75
- risk_code
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOxonium, triethyl-, tetrafluoroborate(1-) (1:1): ACTIVE
Applications
UsesTriethyloxonium tetrafluoroborate is used as a powerful alkylating agent, especially for ethylation. It is used for the modification of carboxyl residues in proteins. It is involved in the preparation of μ-amino esters from lactams. It is also alkylating agent for nucleophilic functional groups in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
253 records
Compound notes
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