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1-Ethyl-4-iodobenzene

1-Ethyl-4-iodobenzene structure

CAS No:
25309-64-2
Formula:
C8H9I
Chemical Name:
1-Ethyl-4-iodobenzene
Synonyms:
Benzene,1-ethyl-4-iodo-;1-Ethyl-4-iodobenzene;p-Ethyliodobenzene;p-Iodoethylbenzene;4-Ethylphenyl iodide;4-Ethyliodobenzene;4-Iodo-1-ethylbenzene;4-Ethyl-1-iodobenzene;1-Iodo-4-ethylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colorless to yellow liquid

1-Ethyl-4-iodobenzene Basic Attributes

Molecular Weight：

232.06

Exact Mass：

232.06

BRN：

2076973

EC Number：

-0

DSSTox ID：

DTXSID70179954

HScode：

2903999090

Characteristics

PSA：

XLogP3：

4.3

Appearance：

clear colorless to yellow liquid

Density：

1.6095 g/cm³ @ Temp: 16 °C

Melting Point：

-11 °C

Boiling Point：

230 °C

Flash Point：

107 °C

Refractive Index：

1.590

Vapor Pressure：

0.291mmHg at 25°C

Safety Information

hazard class code：

36/38-36

safety instructions：

37/39-26-36

Marks：

Xi,C

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Ethyl-4-iodobenzene Use and Manufacturing

General procedure: Typical procedure. To a solution of 1, 2-dimethylbenzene (0.106 g, 1 mmol) in acetonitrile (10 mL), iodine (1 mmol. 0.126 g) and polymer-supported periodic acid (0.6 g, 1.05 mmol) were added and the mixture was stirred for 1 hour at 40 °C. The reaction progress was monitored by thin layer chromatography (TLC) using a mixture of ethyl acetate and n-hexane (1:9 v/v) as solvent. After completion of the reaction, the mixture was cooled to room temperature and filtered. The excess of iodine was removed from the filtrate by drop wise addition of sodium bisulfite solution (1 M). The organic layers were separated, dried over magnesium sulfate, filtered, and the solvent was removed by evaporation. The residue was purified by column chromatography on silica gel using n-hexane and ethyl acetate. The related product was obtained with 95percent isolated yield, b.p.: 235 °C (lit. [18] b.p.: 234 °C).General procedure: To a freshly distilled CHCl

Computed Properties

Molecular Weight:232.06
XLogP3:4.3
Rotatable Bond Count:1
Exact Mass:231.97490
Monoisotopic Mass:231.97490
Heavy Atom Count:9
Complexity:72.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes