693-39-0

Basic information

• Product Name: 1-NITROHEPTANE
• Synonyms: 1-NITROHEPTANE
• CAS NO: 693-39-0
• Molecular Formula: C₇H₁₅NO₂
• Molecular Weight: 145.2
• Mol File: 693-39-0.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 214.33°C (estimate)
• Flash Point: 75.1°C
• Appearance: /
• Density: 0.9476
• Vapor Pressure: 0.452mmHg at 25°C
• Refractive Index: 1.4262 (estimate)
• PKA: 8.72±0.29(Predicted)
• CAS DataBase Reference: 1-NITROHEPTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-NITROHEPTANE(693-39-0)
• EPA Substance Registry System: 1-NITROHEPTANE(693-39-0)

Safety Data

• Hazardous Substances Data: 693-39-0(Hazardous Substances Data)

Usage

Class

Nitroalkane

Chain structure

Seven-carbon chain with a nitro group attached to one of the carbon atoms

Physical state

Colorless liquid

Odor

Characteristic odor

Common uses

Solvent, production of other chemicals, research chemical, experimental applications

Hazards

Flammable, harmful if ingested, inhaled, or absorbed through the skin

Safety precautions

Handle and store with proper safety measures in place

InChI:InChI=1/C7H15NO2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

Upstream product

• 629-04-9 1-Bromoheptane 
• 4282-40-0 1-Iodoheptane 
• 629-31-2 1-heptanal oxime 
• 142-82-5 n-heptane 
• 25854-38-0 sodium nitromethane 
• 78258-04-5 1-nitro-1-(phenylsulfonyl)heptane 
• 150367-10-5 1-nitro-1-heptene 
• 66-25-1 hexanal 
• 24767-82-6 1-heptyl 4-methylbenzenesulfonate 
• 16156-51-7 heptyl methanesulfonate 
• 103029-57-8 acetic acid-(1-nitromethyl-hexyl ester) 
• 111-26-2 hexan-1-amine 
• 68-12-2 N,N-dimethyl-formamide 
• 5784-69-0 (Z)-heptanal oxime 

Downstream Products

• 111-68-2 1-Heptylamine 
• 111-14-8 oenanthic acid 
• 78258-04-5 1-nitro-1-(phenylsulfonyl)heptane 
• 119472-60-5 5-Benzenesulfinyl-2-methyl-3-(1-nitro-heptyl)-cyclopentanone 
• 119472-64-9 5-Benzenesulfinyl-2-ethyl-3-(1-nitro-heptyl)-cyclopentanone 
• 111-71-7 heptanal 
• 30406-18-9 heptanohydroxamic acid 
• 1236051-43-6 6-nitro-1-phenyldodecan-5-one 
• 1236051-46-9 8-nitro-1-phenyltetradecan-7-one 
• 1236051-52-7 7-nitro-1-phenyltridecan-6-one 
• 1176149-66-8 C₁₅H₂₁NO₂ 
• 1128-08-1 dihydro-cis-jasmone 
• 64470-16-2 2-Nitro-2-hexyl-propandiol-(1,3) 
• 629-31-2 1-heptanal oxime 

Relevant articles and documents

Facile synthesis of 5-Hexyl-4-methyl-γ-butyrolactone via Nef reaction as a key step

A racemic cis/trans mixture of 5-hexyl-4-methyl-γ-butyrolactone was easily synthesized from 1-iodoheptane in four steps with inexpensive and readily available reagents. Our new synthesis method can be potentially employed for mass production of the 4-methyl-5-hexyl-γ-butyrolactone as well as other poly-alkyl substituted γ-butyrolactones.

Crystallization Does It All: An Alternative Strategy for Stereoselective Aza-Henry Reaction

An efficient and experimentally straightforward method for the stereoselective synthesis of a variety of β-nitro-α-amino carboxylic acids via aza-Henry (nitro-Mannich) reaction of aldimines is disclosed, yielding either anti- or a rarely reported syn-configuration. The reaction operates directly on free glyoxylic acid and generates imine species in situ. Crystallization-controlled diastereoselectivity enables isolation of the target compounds in high enantio- and diastereomeric purities by a simple filtration.

Henry reaction of fluorinated nitro compounds

The Henry (nitroaldol) reaction of fluorinated nitro compounds with various aromatic aldehydes and a fluorinated aliphatic aldehyde to give β-fluoro-β-nitroalcohols which bearing a fluorinated quaternary carbon center was reported. The relative configuration of the major diastereoisomer of 2-fluoro-2-nitro-1-(4-nitrophenyl)-3-phenylpropanol (5bf) was determined by X-ray single crystal analysis.