Isopropyl nitrite

Base Information

• Chemical Name: Isopropyl nitrite
• CAS No.: 541-42-4
• Molecular Formula: C3H7NO2
• Molecular Weight: 89.0941
• Hs Code.: 2920909090
• European Community (EC) Number: 208-779-0
• UNII: 2T3Y2PS0ZE
• DSSTox Substance ID: DTXSID3052191
• Nikkaji Number: J23.978J
• Wikipedia: Isopropyl_nitrite
• Wikidata: Q15409423
• Mol file: 541-42-4.mol

Synonyms:alkyl nitrite;isopropyl nitrite

Chemical Property of Isopropyl nitrite

Chemical Property:

• Appearance/Colour: Gray yellow oily liquid
• Vapor Pressure: 458mmHg at 25°C
• Melting Point: 134-139?°C(lit.)
• Refractive Index: 1.404
• Boiling Point: 39 °C at 760 mmHg
• Flash Point: -37℃
• PSA: 38.66000
• Density: 1.02 g/cm³
• LogP: 1.09280
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 89.047678466
• Heavy Atom Count: 6
• Complexity: 44.1

Purity/Quality:

99% ^*data from raw suppliers

ISOPROPYL NITRITE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): O,T
• Hazard Codes: O,T
• Statements: 8-11-23/24/25-36/37/38
• Safety Statements: 17-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)ON=O
• Uses: Isopropyl nitrite is used in the preparation of heterocyclic amides as RIP1 kinase inhibitors.

Technology Process of Isopropyl nitrite

There total 14 articles about Isopropyl 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: 84.0%

isopropyl alcohol (67-63-0,8013-70-5) → i-propyl nitrite (541-42-4)

Guidance literature:

With sulfuric acid; sodium nitrite; In dichloromethane; water; at 15 ℃; for 1h;

DOI:10.1021/jo00277a030

Reference yield:

2-iodo-propane (75-30-9) → i-propyl nitrite (541-42-4) + 2-nitropropane (79-46-9)

Guidance literature:

With silver(I) nitrite;

Reference yield:

isopropyl bromide (75-26-3) → i-propyl nitrite (541-42-4) + 2-nitropropane (79-46-9)

Guidance literature:

With silver(I) nitrite;

upstream raw materials:

2-iodo-propane

isobutyric acid sodium salt

isopropyl alcohol

isopropyl bromide

Downstream raw materials:

N-hydroxy-2-oxo-2-phenylethanimidoyl chloride

2-(4-bromo-phenyl)-glyoxylohydroximoyl bromide

2-(4-chlorophenyl)-N-hydroxy-2-oxoethanimidoyl chloride

3-bromoacetonaldoxime

Refernces

• 1、 Mund,Fockenberg,Zellner. "LIF spectra of n-propoxy and i-propoxy radicals and kinetics of their reactions with O2 and NO2". . p. 709 - 715. Retrieved 1998.
• 2、 Liang, Shuang,Cao, Xiaohui,Yan, Xilong,Chen, Ligong. "A mild and practical synthesis of biphenyl compounds". . p. 555 - 556. Retrieved 2012/10/29.