Isobutane

Base Information

• Chemical Name: Isobutane
• CAS No.: 75-28-5
• Deprecated CAS: 100494-20-0,70357-15-2,1326305-81-0,70357-15-2
• Molecular Formula: C4H10
• Molecular Weight: 58.1234
• Hs Code.: 2901100000
• European Community (EC) Number: 200-857-2,693-262-6
• ICSC Number: 0901
• UN Number: 1969,1075
• UNII: BXR49TP611
• DSSTox Substance ID: DTXSID1026401
• Nikkaji Number: J4.159I
• Wikipedia: Isobutane
• Wikidata: Q407225,Q82945424,Q83036171
• NCI Thesaurus Code: C65972
• RXCUI: 1363040
• ChEMBL ID: CHEMBL2106398
• Mol file: 75-28-5.mol

Synonyms:Butanes;Isobutane;Isobutanes

Chemical Property of Isobutane

Chemical Property:

• Appearance/Colour: a kind of air with no odour and no color
• Melting Point: -160 °C(lit.)
• Boiling Point: −12 °C(lit.)
• Flash Point: -83 °C
• PSA: 0.00000
• Density: 0.612 g/cm³
• LogP: 1.66230
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 58.078250319
• Heavy Atom Count: 4
• Complexity: 4.8
• Transport DOT Label: Flammable Gas

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F+
• Hazard Codes: F+

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)C
• Inhalation Risk: A harmful concentration of this gas in the air will be reached very quickly on loss of containment.
• Effects of Short Term Exposure: Rapid evaporation of the liquid may cause frostbite. The substance may cause effects on the cardiovascular system. This may result in impaired functions and respiratory failure. Exposure at high levels could cause death.

Technology Process of Isobutane

There total 756 articles about Isobutane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

tripotassiumdecaisobutylpentaaluminum + hydrogen cation → Isobutane (75-28-5,40921-86-6) + potassium ion (24203-36-9) + hydrogen (1333-74-0) + Al(OH)2(1+)

Guidance literature:

With water; In water; acid hydrolysis with 20% HCl; quantities of the products determined;

DOI:10.1016/S0020-1693(00)86378-1

Reference yield: 3.44%

methane (34557-54-5,27936-85-2) → 3,3-dimethylpentane (562-49-2) + 2,2-dimethylhexane (590-73-8) + tetramethyl-2,2,3,3 butane (594-82-1) + 3-ethyl-3-methyl-pentane (1067-08-9) + tetraethylmethane (1067-20-5) + 2,2,3,3-tetramethyl-hexane (13475-81-5) + 2,4-dimethylhexane (589-43-5) + ethane (74-84-0) + propane (74-98-6) + Isobutane (75-28-5,40921-86-6) + 2,2-dimethylpropane (463-82-1) + methylbutane (78-78-4) + 2-Methylpentane (107-83-5) + 2,2-Dimethylbutane (75-83-2) + triptane (464-06-2) + 2,2-dimethylpentane (590-35-2) + 2,2,3,3-tetramethylpentane (7154-79-2) + hydrogen (1333-74-0)

Guidance literature:

With water; at 84 ℃; Product distribution / selectivity; Photolysis;

Reference yield:

4,4-dimethyl-azetidin-2-one (4879-95-2) → 2,2-dimethylaziridine (2658-24-4) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + ethane (74-84-0) + Isobutane (75-28-5,40921-86-6) + carbon monoxide (201230-82-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

at 149.9 ℃; under 28.5 Torr; Product distribution; Quantum yield; Mechanism; Irradiation; mercury-photosensitized decomposition; other pressures (640 - 5000 Pa), different light intensities;

DOI:10.1246/bcsj.63.2911

upstream raw materials:

3-methyl-butan-2-one

tert-butylmagnesium chloride

methyl radical

propane

Downstream raw materials:

2,2-dimethylpropane

methylbutane

trifluoromethan

2,3,3-Trimethyl-pentane

Refernces

Reactions of (MeC5H4)3U(t-Bu): Intermolecular Fluorine Atom Absorption from Fluorocarbons Including Saturated Perfluorocarbons

10.1021/ja00072a046

The research investigates the intermolecular fluorine atom abstraction from fluorocarbons, including saturated perfluorocarbons, by the compound (MeCsH&U(t-Bu). The study reports that this compound can efficiently abstract fluorine atoms under mild conditions in hydrocarbon solvents. Key chemicals involved in the research include hexafluorobenzene, which reacts with (MeCsH&U(t-Bu) to produce uranium (IV) fluoride and various organic products such as CsFsH, CsFs(t-Bu), isobutane, and isobutene. Other fluorocarbons like benzotrifluoride and perfluoromethylcyclohexane were also used to explore the scope of the C-F bond activation process. The reactions were monitored using techniques like NMR spectroscopy, GC, and GC-MS to identify and quantify the products. The study proposes a radical cage mechanism for these reactions, suggesting that the formation of a U-F bond and subsequent C-C or C-H bond formations drive the process.