Basic information
- CAS
174501-65-6- Standard SMILES
CCCCn1cc[n+](C)c1.F[B-](F)(F)F- InChIKey
LSBXQLQATZTAPE-UHFFFAOYSA-N- Molecular formula
- C8H15BF4N2
- Average molar mass
- 226.026 g/mol
- Monoisotopic mass
- 226.12644176
Names & identifiers
- Preferred name
- 1-Butyl-3-methylimidazolium tetrafluoroborate
- IUPAC
- 1-Butyl-3-methyl-1H-imidazol-3-ium tetrafluoridoborate(1-)
- English name
- 1-Butyl-3-methylimidazolium tetrafluoroborate
- Molecular formula
- C8H15BF4N2
- Molecular weight
- 226.02
Names & synonyms
BMIMBF41-N-BUTYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE3-Butyl-1-Methyl-1H-iMidazol-3-iuM tetrafluoroborate1-Butyl-3-98%MinSKL1400JACS-174501-65-6Basionics? EE 04Basionics(R) EE 041-BUTYL-3-METHYL-IMIDAZOLIUM TETRAFLUORO
Database identifiers
- CAS
174501-65-6- PubChem CID
- 2734178
- DTXSID
DTXSID5049231- ChEMBL
CHEMBL3186788- UNII
- T2TVZ2306T
- EC Number
- 638-831-1
- Nikkaji
- J3.798.242C
Properties
Computed structural properties
- Topological polar surface area
- 8.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- -71 °C · -71 °C
- Density
- 1.21 g/mL · 1.21 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.52
- Flash point
- 288 °C · 288 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Viscous Liquid
- color
- Clear yellow-orange
- PH
- 5 · 5 (H2O, 20℃)
- Water Solubility
- Miscible with acetone, acetonitrile, ethyl acetate, isopropyl alcohol and methylene chloride. Immiscible with hexane, toluene and water.
- Stability
- hygroscopic
- InChI
- InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
- InChIKey
- YKVHBSVCYVBXQM-UHFFFAOYSA-M
- SMILES
- N1(CCCC)C=C[N+](C)=C1.[B-](F)(F)(F)F
- CAS DataBase Reference
- 174501 · 174501-65-6(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (77%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (77.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 139 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (77%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (20.9%)；Aquatic Chronic 2 (77.7%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2810 6.1/PG 3
- hs_code
- 2933 29 90
- risk_code
- 22-36/37/38-51/53-36/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
Chemistry & industry
Applications
Uses1-n-Butyl-3-methylimidazolium tetrafluoroborate is an ionic liquid used for various reactions such as hydrogenations, asymmetric hydrogenations proceed in higher enantioselectivity than in homogeneous phase. It is also used in Suzuki cross-coupling.
Uses1-Butyl-3-methylimidazolium tetrafluoroborate may be used as an extractant for the removal of dibenzothiophene (DBS) from liquid fuels via extractive desulfurization.
UsesSolvent for organic reactions.
Uses1-Butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF4) can be used: As a reaction medium for the preparation NH4TiOF3 mesocrystals, which are converted into TiO2 based nanostructures. As a working fluid along with 2,2,2-trifluoroethanol in absorption heat pumps or chillers. As an electrolyte in lithium-ion batteries and double layer capacitors.
General Description1-Butyl-3-methylimidazolium tetrafluoroborate is a high-purity ionic liquid (HPIL) with low water and halogen content.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
147 records
HRID 1325664As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
Compound notes
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