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1-Butyl-3-methylimidazolium bromide

  • Name 1-Butyl-3-methylimidazolium bromide
  • EINECS617-674-2
  • CAS No. 85100-77-2
  • Density1.30 g/cm3(Temp: 25.1 °C)
  • PSA8.81000
  • LogP-1.88330
  • SolubilityMiscible in water, methanol and dichloromethane. Immiscible in acetone, toluene, ethyl acetate and diethyl ether.
  • Melting Point65-75 °C
  • FormulaC8H15N2.Br
  • Boiling PointN/A
  • Molecular Weight219.124
  • Flash PointN/A
  • Transport InformationN/A
  • Appearancewhite crystals
  • Safety37/39-26
  • Risk Codes36/37/38-22
  • Molecular Structure
    Molecular Structure of 85100-77-2 (1-Butyl-3-methylimidazolium bromide)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data6

1-Butyl-3-methylimidazolium bromide Specification

1. Introduction of 1-Butyl-3-methylimidazolium bromide
The 1-Butyl-3-methylimidazolium bromide with its cas register number is 85100-77-2. It also can be called as 1H-Imidazolium,3-butyl-1-methyl-, bromide (1:1) and the Systematic name about this chemical is 1-butyl-3-methyl-1H-imidazol-3-ium bromide. It belongs to the following product categories, such as Imidazolium Compounds, Imidazolium Salts (Ionic Liquids), Ionic Liquids, Synthetic Organic Chemistry and so on.

2. Properties of 1-Butyl-3-methylimidazolium bromide
Physical properties about 1-Butyl-3-methylimidazolium bromide are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 8.81Å2.

3. Structure Descriptors of 1-Butyl-3-methylimidazolium bromide
(1)SMILES: [Br-].c1c[n+](cn1CCCC)C
(2)InChI: InChI=1/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: KYCQOKLOSUBEJK-REWHXWOFAI
(4)Std. InChI: InChI=1S/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: KYCQOKLOSUBEJK-UHFFFAOYSA-M

4. Safety Information of 1-Butyl-3-methylimidazolium bromide
Xn
R36/37/38: Irritating to eyes, respiratory system and skin.
R22::Harmful if swallowed.
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

5. Other details of 1-Butyl-3-methylimidazolium bromide
This chemical is irritating to eyes, respiratory system and skin, and also it is harmful if swallowed. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

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