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1-Butyl-3-methylimidazolium hexafluorophosphate

1-Butyl-3-methylimidazolium hexafluorophosphate structure

CAS No:
174501-64-5
Formula:
C8H15N2.F6P
Chemical Name:
1-Butyl-3-methylimidazolium hexafluorophosphate
Synonyms:
1H-Imidazolium,3-butyl-1-methyl-,hexafluorophosphate(1-) (1:1);1H-Imidazolium,1-butyl-3-methyl-,hexafluorophosphate(1-);1-Butyl-3-methylimidazolium hexafluorophosphate;1-Butyl-3-methyl-1H-imidazolium hexafluorophosphate;1-n-Butyl-3-methylimidazolium hexafluorophosphate;3-Butyl-1-methylimidazolium hexafluorophosphate;1-Butyl-3-methyl-1H-imidazolium hexafluorophosphate(1-);BmimPF6;1-Methyl-3-butyl imidazolium hexafluorophosphate;1-Butyl-3-methylimidazolium hexafluorophosphate(1-);N-Butyl-N′-methylimidazolium hexafluorophosphate;LP 104;Bmim hexafluorophosphate;Bmim hexafluorophosphate(1-);BMI-PF 6;1-Butyl-3-methylimidazolinium hexafluorophosphate;Butylmethylimidazolium hexafluorophosphate;[C4Mim+][PF6-];3-Butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate;1402596-70-6;2633027-01-5
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear pale yellow oil

1-Butyl-3-methylimidazolium hexafluorophosphate Basic Attributes

Molecular Weight：

284.18

Exact Mass：

284.08800

EC Number：

1308068-626-2

UNII：

ZGE3N4O8Q9

DSSTox ID：

DTXSID4047911

HScode：

29339900

Characteristics

PSA：

8.8

XLogP3：

4.49510

Appearance：

Clear colorless to pale yellow Viscous Liquid

Density：

1.396 g/cm³

Melting Point：

10.36 °C

Boiling Point：

>340°C

Flash Point：

>350°C

Refractive Index：

n 20/D 1.41

Water Solubility：

Miscible with dichloromethane, chloroform, ethyl acetate. Immiscible with water, diethyl ether and hexane.

Storage Conditions：

Store below +30°C.

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

(bmim)(PF6)

1-Butyl-3-methylimidazolium hexafluorophosphate Use and Manufacturing

those consisting of tetrafluoroborate, alkylsulfate, alkylsulfonate, carboxylate, or phosphate anions are hydrophilic and are completely dissolved in water. Dupont and coworkers first reported stable hydrophobic imidazolium salt, 1-butyl-3-methylimidazolium hexafluorophosphate ([C4mim][PF6]) in 1996. Since then, this salt has been used as a typical hydrophobic IL in many chemical reactions because its mixture with water forms a biphasic layer. Furthermore, this IL shows poor solubility in hexan

Computed Properties

Molecular Weight:284.18
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:284.08770446
Monoisotopic Mass:284.08770446
Topological Polar Surface Area:8.8
Heavy Atom Count:17
Complexity:156
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

Toluene

Butyl chloride

Dimethyl carbonate

1-Methylimidazole

Dimethyl sulfate

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Guide of 1-Butyl-3-methylimidazolium hexafluorophosphate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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1-Butyl-3-methylimidazolium hexafluorophosphate

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