1-Butyl-3-methylimidazolium tetrafluoroborate

HCID 2734178CAS 174501-65-6

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Grundinformationen

Standard-SMILES: CCCCn1cc[n+](C)c1.F[B-](F)(F)F
InChIKey: LSBXQLQATZTAPE-UHFFFAOYSA-N
Summenformel: C8H15BF4N2
Durchschnittliche Molmasse: 226,026 g/mol
Monoisotopische Masse: 226,12644176

Namen und Bezeichner

Bevorzugter Name: 1-Butyl-3-methylimidazolium tetrafluoroborate
IUPAC: 1-Butyl-3-methyl-1H-imidazol-3-ium tetrafluoridoborate(1-)
Englischer Name: 1-Butyl-3-methylimidazolium tetrafluoroborate
Summenformel: C8H15BF4N2
Molmasse: 226.02

Namen und Synonyme

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

Datenbank-Bezeichner

CAS: 174501-65-6
PubChem CID: 2734178
DTXSID: DTXSID5049231
ChEMBL: CHEMBL3186788
UNII: T2TVZ2306T
EC Number: 638-831-1
Nikkaji: J3.798.242C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 8,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 112

Physikochemische Eigenschaften

Schmelzpunkt: -71 °C · -71 °C
Dichte: 1.21 g/mL · 1.21 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.52
Flammpunkt: 288 °C · 288 °C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Viscous Liquid
Farbe: Clear yellow-orange
PH: 5 · 5 (H2O, 20℃)
Wasserlöslichkeit: Miscible with acetone, acetonitrile, ethyl acetate, isopropyl alcohol and methylene chloride. Immiscible with hexane, toluene and water.
Stabilität: 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 Datenbank: 174501 · 174501-65-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN2810 6.1/PG 3
hs_code: 2933 29 90
risk_code: 22-36/37/38-51/53-36/38-25
hazard_code: Xn,Xi,N,T
safety_code: 37/39-26-61-45
hazard_class: 9
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden1-Butyl-3-methylimidazolium tetrafluoroborate may be used as an extractant for the removal of dibenzothiophene (DBS) from liquid fuels via extractive desulfurization.