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1-Hexyl-3-methylimidazolium chloride

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Name

1-Hexyl-3-methylimidazolium chloride

EINECS N/A
CAS No. 171058-17-6 Density 1.0337 g/cm3
PSA 8.81000 LogP -1.10310
Solubility Insoluble in water. Melting Point -85 °C
Formula C10H19ClN2 Boiling Point N/A
Molecular Weight 202.727 Flash Point N/A
Transport Information N/A Appearance Clear yellow-orange liquid
Safety 26-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 171058-17-6 (1-Hexyl-3-methylimidazolium chloride) Hazard Symbols HarmfulXn
Synonyms

1H-Imidazolium,1-hexyl-3-methyl-, chloride (9CI);1-Hexyl-3-methyl-1H-imidazolium chloride;1-n-Hexyl-3-methylimidazolium chloride;

Article Data 43

1-Hexyl-3-methylimidazolium chloride Specification

The 1-Hexyl-3-methylimidazolium chloride, with the cas registry number of 171058-17-6, is also known as 1H-Imidazolium, 1-hexyl-3-methyl-, chloride (1:1) and 3-Hexyl-1-methyl-1H-imidazol-3-ium chloride. It belongs to the product categories of Imidazolium Compounds; Imidazolium Salts (Ionic Liquids); Ionic Liquids; Synthetic Organic Chemistry. This chemical's molecular formula is C10H19ClN2 and formula weight is 202.72. What's more, both its IUPAC name and systematic name are the same which is called 1-Hexyl-3-methylimidazol-3-ium. This chemical is clear yellow-orange liquid.

Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 8.81 Å2; (5)Density: 1.0337 g/cm3; (6)Melting Point: -85 °C; (7)Refractive Index: 1.514-1.518.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and irritates to eyes, respiratory system and skin. Secondly, it is harmful if swallowed. Whenever you will contact it, please wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCN1C=C[N+](=C1)C;
(2)InChI: InChI=1S/C10H19N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-10H,3-7H2,1-2H3/q+1;
(3)InChIKey: RVEJOWGVUQQIIZ-UHFFFAOYSA-N.

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