629-37-8

Basic information

• Product Name: 1-nitrooctane
• Synonyms: 1-nitrooctane;1-nitro-octane
• CAS NO: 629-37-8
• Molecular Formula: C₈H₁₇NO₂
• Molecular Weight: 159.23
• Mol File: 629-37-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 15°C
• Boiling Point: 208.55°C
• Flash Point: 82.1°C
• Appearance: /
• Density: 0.9346
• Vapor Pressure: 0.213mmHg at 25°C
• Refractive Index: 1.4322
• CAS DataBase Reference: 1-nitrooctane(CAS DataBase Reference)
• NIST Chemistry Reference: 1-nitrooctane(629-37-8)
• EPA Substance Registry System: 1-nitrooctane(629-37-8)

Safety Data

• Hazardous Substances Data: 629-37-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 32, p. 4134, 1967 DOI: 10.1021/jo01287a116

InChI:InChI=1/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3

Upstream product

• 629-27-6 1-Iodooctane 
• 111-86-4 n-Octylamine 
• 126864-04-8 C₂₆H₃₂NP 
• 111-83-1 1-bromo-octane 
• 68-12-2 N,N-dimethyl-formamide 
• 67-68-5 dimethyl sulfoxide 
• 60-29-7 diethyl ether 

Downstream Products

• 103046-97-5 5-benzyloxy-3-(2-nitro-non-1-enyl)-indole 
• 64434-68-0 2-Nitro-2-heptylpropandiol-(1,3) 
• 124-13-0 Octanal 
• 78387-80-1 1-Nitro-1-phenylselenooctane 
• 7377-03-9 caprylohydroxamic acid 
• 124-12-9 caprylnitrile 
• 184375-00-6 1-(3',5'-dibenzyloxyphenyl)-2-nitronon-1-ene 
• 82912-01-4 2-Nitro-2-phenylselenononanol 
• 142-95-0 n-octylamine hydrochloride 
• 20172-40-1 N-benzylidene-1-octaneamine 
• 1667-16-9 N-benzyl-N-octylamine 
• 1144110-49-5 C₂₂H₂₉NO₆S₂ 
• 4550-05-4 1-nitro-1-octene 
• 184375-10-8 benzyl glaucophaeate ethylene ketal 

Relevant articles and documents

Micellar Effects in the Nitrous Acid Deamination Reaction of (R)-2H>-1-Octanamine

The nitrous acid deamination of 1-octanamine (1) afforded mixtures of isomeric octenes, octanols, and octyl nitrites.The aggregation of 1*HClO4 in micelles induced the formation of dioctyl ethers and of 1-nitrooctane as additional products.In homogeneous solution (submicellar aqueous conditions or HOAc), 2H>-1-octanol was obtained from 2H>-1 with ca. 95 percent inversion of configuration.Above the critical micelle concentration, the enantiomeric purity of 2H>-1-octanol decreased while 2H>-1-nitrooctane was formed with ca. 90 percent retention of configuration. 1-Octyl..NO2 radical pairs, rather than ion pairs, are likely to intervene on the retentive route to 1-nitrooctane and 1-octyl nitrite.Equilibration, via NO exchange, of (R)-2H>-1-octyl nitrite with the more abundant (S)-2H>-1-octanol is thought to account for the diminished ee of both products.