1,1,1-Trifluoro-4-iodobutane Chemical Properties

Boiling point:

126 °C

Density 

1.85

refractive index 

1.4326

Flash point:

>100°C

storage temp. 

2-8°C(protect from light)

form 

clear liquid

color 

Colorless to Light yellow to Light orange

Sensitive 

Light Sensitive

BRN 

1736064

InChI

InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2

InChIKey

LNDGACQEAYKNOI-UHFFFAOYSA-N

SMILES

C(F)(F)(F)CCCI

CAS DataBase Reference

461-17-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

23-26-36-37

HazardClass 

IRRITANT

HS Code 

29037990

MSDS

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1,1,1-Trifluoro-4-iodobutane Usage And Synthesis

Description

1,1,1-Trifluoro-4-iodobutane is an organic compound with the chemical formula CIF3. It is a colorless liquid that reacts with water and alcohol to form hydrogen fluoride and hydrofluoric acid. 1,1,1-Trifluoro-4-iodobutane is a potent sensitizer that can irritate the skin and eyes. It has been used experimentally as a solvent for diethyl ether in the synthesis of piperidinium salts. The cavity viscosity of 1,1,1-trifluoro-4-iodobutane has been measured at room temperature and found to be 0.0038 Pa·s at 25 °C. In laboratory tests, this molecule has shown antibacterial activity against Propionibacterium acnes (P. acnes) and Staphylococcus aureus (S. aureus).

Uses

1,1,1-Trifluoro-4-Iodobutane can be used to prepare small molecule inhibitors of SLC15A4 possessing anti-inflammatory activity.

Synthesis

In a 1.0 L reactor add 0.8 g of 18-crown-6, 3 mol of CF3CH2CH2CH2Cl, 1.5 mol of potassium iodide and After 500 ml of acetone, the reactor was sealed. With stirring on, the reactor was warmed up to 90 ??C and reacted at a constant temperature for 6 h. The reactants were filtered and distilled to give CF3CH2CH2CH2CH2I in 93.4% yield based on potassium iodide.

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