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| CAS No.: | 85100-77-2 |
|---|---|
| Name: | 1-Butyl-3-methylimidazolium bromide |
| Molecular Structure: | |
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| Formula: | C8H15N2.Br |
| Molecular Weight: | 219.124 |
| Synonyms: | 1H-Imidazolium,1-butyl-3-methyl-, bromide (9CI);1-Butyl-3-methyl-1H-imidazolium bromide;1-Methyl-3-butylimidazolium bromide;3-Butyl-1-methylimidazolium bromide;N-Butyl-N'-methylimidazolium bromide; |
| EINECS: | 617-674-2 |
| Density: | 1.30 g/cm3(Temp: 25.1 °C) |
| Melting Point: | 65-75 °C |
| Solubility: | Miscible in water, methanol and dichloromethane. Immiscible in acetone, toluene, ethyl acetate and diethyl ether. |
| Appearance: | white crystals |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 8.81000 |
| LogP: | -1.88330 |
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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
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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.