1-Butyl-3-methylimidazolium chloride

C8H15ClN2CAS 79917-90-1174.67 g/mol

Open in Covalent MOL file
NN+Cl−

Properties

Molecular formula
C8H15ClN2
Molar mass
174.67 g/mol
Exact mass
174.0924 Da
Density
1.08 g/mL (at 25 °C)
Melting point
68.8 °C
logP
-1.88Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number
79917-90-1
SMILES
CCCCn1cc[n+](C)c1.[Cl-]
InChIKey
FHDQNOXQSTVAIC-UHFFFAOYSA-M
InChI
InChI=1S/C8H15N2.ClH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 1H-Imidazolium, 3-butyl-1-methyl-, chloride (1:1)
  • 1H-Imidazolium, 1-butyl-3-methyl-, chloride
  • 1-Methyl-3-butylimidazolium chloride
  • 3-Butyl-1-methylimidazolium chloride
  • 1-n-Butyl-3-methylimidazolium chloride
  • 1-Butyl-3-methyl-1H-imidazolium chloride
  • [BMIM]Cl
  • N-Butyl-N′-methylimidazolium chloride
  • 1-Butyl-3-methylimidizolium chloride
  • LM 1039
  • Basionics ST 70
  • [C4Mim]cl
  • [C4Mim+][cl-]

Work with 1-Butyl-3-methylimidazolium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-5Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-6Salt 1-Butyl-3-methylimidazolium bromide85100-77-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt 1-Butyl-3-methylimidazolium methanesulfonate342789-81-5Salt 1-Butyl-3-methylimidazolium hydrogen sulfate262297-13-2Salt 1-Butyl-3-methylimidazolium acetate284049-75-8Salt 1-Butyl-3-methylimidazolium dicyanamide448245-52-1Salt 1-Butyl-3-methylimidazolium nitrate179075-88-8Salt 1-Butyl-3-methylimidazolium iodide65039-05-6Salt

Similar compounds

1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-587 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-687 % similar 1-Decyl-3-methylimidazolium chloride171058-18-787 % similar 1-Octyl-3-methylimidazolium chloride64697-40-187 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-971 % similar 1-Decyl-3-methylimidazolium bromide188589-32-471 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-671 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-171 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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