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85100-78-3

Basic Information
CAS No.: 85100-78-3
Name: 1-Hexyl-3-methylimidazolium bromide
Article Data: 95
Molecular Structure:
Molecular Structure of 85100-78-3 (1-Hexyl-3-methylimidazolium bromide)
Formula: C10H19BrN2
Molecular Weight: 247.178
Synonyms: 1H-Imidazolium,1-hexyl-3-methyl-, bromide (9CI);1-Hexyl-3-methyl-1H-imidazolium bromide;1-Hexyl-3-methylimidazolium bromide;1-hexyl-3-methyl-imidazol-3-ium bromide;1-hexyl-3-methyl-imidazolium bromide;1H-imidazolium, 1-hexyl-3-methyl-, bromide (1:1);
Density: 1.23
Melting Point: -54.9 °C
Boiling Point: 395 °C (6 mmHg)
Appearance: clear yellow to yellow-brown viscous liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-22
Safety: 37/39-26
PSA: 8.81000
LogP: -1.10310
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Specification

The 1H-Imidazolium,3-hexyl-1-methyl-, bromide (1:1), with the CAS registry number 85100-78-3, has the systematic name of 1-hexyl-3-methyl-imidazol-3-ium bromide. It is a kind of clear yellow to yellow-brown viscous liquid, and belongs to the following product categories: Imidazolium Compounds; Imidazolium Salts (Ionic Liquids); Ionic Liquids; Synthetic Organic Chemistry. And the molecular formula of this chemical is C10H19BrN2.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCn1cc[n+](c1)C.[Br-]
(2)InChI: InChI=1/C10H19N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: BGSUDDILQRFOKZ-REWHXWOFAQ