617-72-1

Basic information

• Product Name: 2-nitroheptane
• Synonyms: 2-nitroheptane
• CAS NO: 617-72-1
• Molecular Formula: C₇H₁₅NO₂
• Molecular Weight: 145.1995
• Mol File: 617-72-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 196°C at 760 mmHg
• Flash Point: 63.2°C
• Appearance: /
• Density: 0.923g/cm³
• Vapor Pressure: 0.408mmHg at 25°C
• Refractive Index: 1.428
• CAS DataBase Reference: 2-nitroheptane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-nitroheptane(617-72-1)
• EPA Substance Registry System: 2-nitroheptane(617-72-1)

Safety Data

• Hazardous Substances Data: 617-72-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H15NO2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3

Upstream product

• 5314-31-8 Methyl-pentyl-ketoxim 
• 142-82-5 n-heptane 
• 79-24-3 Nitroethane 
• 110-62-3 pentanal 
• 1974-04-5 2-bromoheptane 
• 25854-39-1 sodium nitroethane 
• 359-48-8 trifluoroacetyl peroxide 
• 57-13-6 urea 
• 75-05-8 acetonitrile 
• 110-58-7 n-Pentylamine 

Downstream Products

• 1122-60-7 1-nitrocyclohexane 
• 100-64-1 cyclohexanone-oxime 
• 123-82-0 2-heptylamine 
• 110-43-0 n-pentyl methyl ketone 

Relevant articles and documents

Facile access to nitroalkanes: Nitration of alkanes by selective C[sbnd]H nitration using metal nitrate, catalyzed by in-situ generated metal oxide

Direct C ? H functionalization of inactive alkanes is an important strategy to streamline the preparation of functional molecules. Herein, we describe an operationally simple and effective alkane C ? H nitration reaction to access versatile nitroalkanes without cleavage of the C ? C skeleton. Nontoxic and inexpensive metal nitrate (Fe(NO3)3·9H2O) plays a dual role as catalyst precursors as well as nitro sources for the transformation. Experimental evidence and theoretical modeling have shown the formation of iron oxide as a key catalytic species for the alkane C ? H and NO2 activation, which favors a stepwise radical mechanism with initial alkyl radical formation.

Alkyl nitrate, hydroxyalkyl nitrate, and hydroxycarbonyl formation from the NOx-air photooxidations of C5-C8 n-alkanes

In the troposphere, alkanes present in the gas phase react mainly with the OH radical to form an alkyl radical. Products of the gas-phase reactions of OH radicals with the n-alkanes, n-pentane through n-octane at 298 ± 2 K and 1 atm of air were studied using GC with flame ionization detection, combined GC-MS, and in situ atmospheric pressure ionization tandem MS. The alkyl nitrate, hydroxyalkyl nitrate, and hydroxycarbonyl formation yields combined with the published carbonyl yields arising from alkoxy radical decomposition and reaction with O2, account for ～ 95, ～ 80, ～ 70, and ～ 55% of n-pentane, n-hexane, n-heptane, and n-octane (with NO), respectively. Hydroxyalkyl nitrate formation accounts for a few percent of the overall reaction products, and was consistently ～ 25% of the corresponding alkyl nitrate yields. Significant fractions of the atmospheric reaction products of ≥ C5 n-alkanes (and other alkanes whose intermediate alkoxy radicals can isomerize) were composed of hydroxycarbonyls and hydroxyalkyl nitrates, compound classes which are difficult to analyze under atmospheric conditions.

SYNTHESIS, PROPERTIES, AND CRYSTAL STRUCTURE OF SILYL NITRONATES (SILYL ESTERS OF ACI-NITROALKANES): TOWARDS THE SN2 REACTION PATH WITH RETENTION OF CONFIGURATION AT SILICON

An efficient and flexible method for the preparation of silyl nitronates is described (see 1-10).NMR. spectral investigations indicate a rapid 1,3-silyl migration process, with an activation energy of about 10 kcal mol-1.X-ray crystallographic