Isobutyl nitrite

Base Information

• Chemical Name: Isobutyl nitrite
• CAS No.: 542-56-3
• Molecular Formula: C4H9NO2
• Molecular Weight: 103.121
• Hs Code.: 29209090
• European Community (EC) Number: 208-819-7
• ICSC Number: 1651
• UN Number: 1992,2351
• UNII: GW9WAB6QOM
• DSSTox Substance ID: DTXSID3020750
• Nikkaji Number: J4.509H
• Wikipedia: Isobutyl_nitrite
• Wikidata: Q1151479
• Metabolomics Workbench ID: 56669
• ChEMBL ID: CHEMBL1526886
• Mol file: 542-56-3.mol

Synonyms:isobutyl nitrite

Chemical Property of Isobutyl nitrite

Chemical Property:

• Appearance/Colour: colourless to pale yellow liquid
• Vapor Pressure: 140mmHg at 25°C
• Refractive Index: n20/D 1.373(lit.)
• Boiling Point: 70.5 °C at 760 mmHg
• Flash Point: −6 °F
• PSA: 38.66000
• Density: 0.99 g/cm³
• LogP: 1.34040
• Storage Temp.: 0-6°C
• Sensitive.: Light Sensitive/Air Sensitive
• Water Solubility.: <0.1 g/100 mL (19℃)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 53.7
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Isobutyl Nitrite >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T,Xi
• Statements: 45-11-20/22-68
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrates and Nitrites
• Canonical SMILES: CC(C)CON=O
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance may cause effects on the blood and cardiovascular system. This may result in cardiac disorders and the formation of methaemoglobin. The effects may be delayed. Medical observation is indicated. Exposure at high levels could cause death.
• Effects of Long Term Exposure: This substance is possibly carcinogenic to humans.
• Uses: Isobutyl nitrite is an alkyl nitrite. It is mainly used in “poppers”, consumed as a recreational drug for their psychoactive effects. Poppers are illegal in many countries, and as a result are commonly sold as air fresheners or deodorizers. Other minor uses of isobutyl nitrite include as an intermediate in the synthesis of aliphatic nitrites, nail polish removers, video head cleaners, fuels, and jet propellants.Isobutyl nitrite was used to study inhalant-induced immunotoxicity. It is used in the preparation of plasmoquin.

Technology Process of Isobutyl nitrite

There total 10 articles about Isobutyl nitrite 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:

2-Methyl-4,5-dihydrofuran (1487-15-6) → nitrous acid isobutyl ester (542-56-3)

Guidance literature:

With pyridine; hydrogenchloride; water; In methanol; at 65 ℃; for 1h; Solvent; Temperature; Reagent/catalyst;

Reference yield:

2-methyl-propan-1-ol (78-83-1) → nitrous acid isobutyl ester (542-56-3)

Guidance literature:

With sodium nitrite; in saurer Loesung;

Reference yield:

Isobutyl iodide (513-38-2) → nitrous acid isobutyl ester (542-56-3) + 1-nitroisobutane (625-74-1)

Guidance literature:

With silver(I) nitrite; unter Kuehlung;

upstream raw materials:

2-methyl-propan-1-ol

Isobutyl bromide

Isobutyl iodide

isobutyloxyl

Downstream raw materials:

3-chloro-1-phenyl-propane-1,2-dione-2-oxime

3-diethylamino-1-phenyl-propane-1,2-dione-2-oxime

1-phenyl-3-piperidino-propane-1,2-dione-2-oxime

Isobutyronitrile

Refernces

• 1、 Kornblum et al.. "-". . p. 3209. Retrieved 1954.
• 2、 Wojcik-Pastuszka,Jodkowski. "Spectrokinetic study of the reaction system of 2NO2?N 2O4 with butanols between 320-358 K in the gas phase". experimental part. p. 131 - 143. Retrieved 2009/09/25.
• 3、 Morabito, Paul,Heicklen, Julian. "Disproportionation to Combination Ratios of Alkoxy Radicals with Nitric Oxide". . p. 2914 - 2916. Retrieved 2007/10/02.