2366-52-1

Basic information

• Product Name: 1-FLUOROBUTANE
• Synonyms: 1-fluoro-butan;Butane,1-fluoro-;Butyl fluoride;N-butylfluoride;1-FLUOROBUTANE;1-FLUOROBUTENE
• CAS NO: 2366-52-1
• Molecular Formula: C₄H₉F
• Molecular Weight: 76.11
• EINECS: 219-123-8
• Mol File: 2366-52-1.mol
• Article Data: 11

Chemical Properties

• Melting Point: -134°C
• Boiling Point: 32 °C
• Appearance: /
• Density: 0.7735
• Refractive Index: 1.3419
• CAS DataBase Reference: 1-FLUOROBUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-FLUOROBUTANE(2366-52-1)
• EPA Substance Registry System: 1-FLUOROBUTANE(2366-52-1)

Safety Data

• Hazard Codes: F
• Statements: 10
• Safety Statements: 16
• RIDADR: 1993
• HazardClass: GAS, FLAMMABLE
• Hazardous Substances Data: 2366-52-1(Hazardous Substances Data)

Usage

General Description

1-Fluorobutane is a halogenated organic compound with the chemical formula C4H9F. It is a colorless, flammable liquid with a faint odor, and is commonly used as a refrigerant and as a solvent in various industrial applications. 1-Fluorobutane is also used in the production of pharmaceuticals and agrochemicals, and as a propellant in aerosol sprays. It has low reactivity and is relatively stable at ambient temperatures, but can react violently with strong oxidizing agents or high temperatures. The compound is also a greenhouse gas, contributing to the depletion of the ozone layer and global warming. Due to its potential environmental and health hazards, measures are in place to regulate its use and minimize its impact.

InChI:InChI=1/C4H9F/c1-2-3-4-5/h2-4H2,1H3

Upstream product

• 542-69-8 1-iodo-butane 
• 624-73-7 1,2-Diiodoethane 
• 1450-14-2 1,1,1,2,2,2-hexamethyldisilane 
• 106-93-4 ethylene dibromide 
• 106-98-9 1-butylene 
• 7664-39-3 hydrogen fluoride 
• 106-97-8 n-butane 
• 67-56-1 methanol 
• 778-28-9 butyl para-toluenesulfonate 
• 7553-56-2 iodine 
• 1912-32-9 n-butyl methanesulfonate 
• 174501-64-5 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate 
• 79546-72-8 methyl 2-chloro-3-diethylamino-3-fluoropropenoate 
• 71-36-3 butan-1-ol 

Downstream Products

• 17180-39-1 2-methyl-1-phenyl-hexan-1-one 
• 462-73-7 1-chloro-4-fluorobutane 
• 3824-16-6 chloro(fluoro)butane 
• 691-40-7 3-chloro-1-fluoro-butane 
• 686-63-5 2-chloro-1-fluoro-butane 
• 106-97-8 n-butane 
• 402846-78-0 1-butyl-2,3-methylimidazolium tetrafluoroborate 
• 174501-65-6 1-butyl-3-methylimidazolium Tetrafluoroborate 
• 7664-39-3 hydrogen fluoride 
• 253185-03-4 tert-butylbenzene 

Relevant articles and documents

Selective Direct Fluorination of Organolithium and Organomagnesium Compounds

The first successful selective monofluorination of organolithium and organomagnesium compounds with elemental fluorine has been achieved in hydrocarbon ether solvents at low temperatures.

Conformational equilibrium and potential energy surface of 1-fluorobutane by microwave spectroscopy and Ab initio calculations

The rotational spectra of four (GT, TT, TG, and GG) of the five possible conformers of 1-fluorobutane have been assigned by combining free jet and conventional microwave spectroscopy. The geometry optimization was performed at the MP2 (full) level of theory with the 6-31G (d) and 6-311G (d,p) basis sets and by using the B3LYP (3df, 3pd) density functional method. The relative stability of the five rotamers is calculated at the QCISD (T)/6-311G (d,p) level of theory. In spite of the fact that ab initio calculations indicated the unobserved GG' conformer to be more stable than at least one of the observed conformers it was not possible to detect its rotational spectrum. GT and TG are the most and the least stable species, respectively. The rotational spectra of several vibrational satellites of the four conformers have been studied by conventional microwave spectroscopy. The overall conformational equilibrium is governed by the two-dimensional potential energy surface of the skeletal torsions MeC-CC and FC-CC, which have been evaluated by a flexible model analysis, based on the experimental values of the relative conformational and vibrational energy spacings, and on the shifts of second moments of inertia upon conformational change and vibrational excitation. The relative energy of the fifth stable conformer (GG') was determined to be 333 cm-1 from flexible model calculations, and to be 271 cm-1 from the most accurate ab initio calculations.

METHOD FOR PRODUCING FLUORINATED ALKANE, METHOD FOR SEPARATING AND RECOVERING AMIDINE BASE, AND METHOD FOR USING RECOVERED AMIDINE BASE

The present invention provides: a method for producing a fluorinated alkane represented by the formula (2): R2—F, wherein an alcohol having 3 to 5 carbon atoms is fluorinated by a fluorinating agent represented by the formula (1): R1SO2F in the absence of a solvent, and in the presence of a base selected from the group consisting of an amidine base and a phosphazene base; a method for separating and recovering an amidine base from an amidine base-sulfonate complex represented by the following formula (5); and a method for using a recovered amidine base. In the formula, R1 represents a methyl group, an ethyl group or an aromatic group, R2 represents an alkyl group having 3 to 5 carbon atoms, and n is 0 or 2.

METHOD OF FLUORINATION

A method of fluorination comprising reacting monosaccharides, oligosaccharides, polysaccharides, composite saccharides formed by bonding of these saccharides with proteins and lipids and saccharides having polyalcohols, aldehydes, ketones and acids of the polyalcohols, and derivatives and condensates of these compounds with a fluorinating agent represented by general formula (I) thermally or under irradiation with microwave or an electromagnetic wave having a wavelength around the microwave region. In accordance with the method, the fluorination at a selected position can be conducted safely at a temperature in the range of 150 to 200°C where the reaction is difficult in accordance with conventional methods. The above method comprising the irradiation with microwave or an electromagnetic wave having a wavelength around the microwave region can be applied to substrates other than saccharides. When a complex compound comprising HF and a base is reacted under irradiation with microwave, fluorination at a specific position which is difficult in accordance with conventional methods proceeds highly selectively, efficiently in a short time and safely.