16694-52-3

Basic information

• Product Name: 1-chloro-3-nitro-propane
• Synonyms: 1-chloro-3-nitro-propane
• CAS NO: 16694-52-3
• Molecular Formula: C₃H₆ClNO₂
• Molecular Weight: 123.54
• Mol File: 16694-52-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 194.4°Cat760mmHg
• Flash Point: 71.4°C
• Appearance: /
• Density: 1.2670
• Vapor Pressure: 0.442mmHg at 25°C
• Refractive Index: 1.4432 (estimate)
• PKA: 8.28±0.58(Predicted)
• CAS DataBase Reference: 1-chloro-3-nitro-propane(CAS DataBase Reference)
• NIST Chemistry Reference: 1-chloro-3-nitro-propane(16694-52-3)
• EPA Substance Registry System: 1-chloro-3-nitro-propane(16694-52-3)

Safety Data

• Hazardous Substances Data: 16694-52-3(Hazardous Substances Data)

Usage

Appearance

Colorless to pale yellow liquid.

Primary use

Intermediate in the production of pharmaceuticals, agricultural chemicals, and other organic compounds.

Classification

Halogenated nitroalkane, isomer of 1-chloro-2-nitropropane.

Hazardous nature

Considered a hazardous substance.

Regulations

Subject to strict regulations regarding handling, storage, and disposal.

Reactivity

Highly reactive, should be used with caution in laboratory and industrial settings.

InChI:InChI=1/C3H6ClNO2/c4-2-1-3-5(6)7/h1-3H2

Upstream product

• 7782-50-5 chlorine 
• 108-03-2 1-Nitropropane 
• 109-70-6 1.3-chlorobromopropane 
• 16694-50-1 acetimidic acid 3-nitro-propyl ester; hydrochloride 
• 25182-84-7 3-nitropropan-1-ol 
• 6940-76-7 1-iodo-3-chloro-propane 

Downstream Products

• 13021-02-8 nitrocyclopropane 
• 16791-62-1 3-(2-hydroxyethyl)-5-phenylisoxazoline 

Relevant articles and documents

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Visible Light-Induced Oxidative Chlorination of Alkyl sp3 C-H Bonds with NaCl/Oxone at Room Temperature

A visible light-induced monochlorination of cyclohexane with sodium chloride (5:1) has been successfully accomplished to afford chlorocyclohexane in excellent yield by using Oxone as the oxidant in H2O/CF3CH2OH at room temperature. Other secondary and primary alkyl sp3 C-H bonds of cycloalkanes and functional branch/linear alkanes can also be chlorinated, respectively, under similar conditions. The selection of a suitable organic solvent is crucial in these efficient radical chlorinations of alkanes in two-phase solutions. It is studied further by the achievement of high chemoselectivity in the chlorination of the benzyl sp3 C-H bond or the aryl sp2 C-H bond of toluene.

Glucosinolate chemistry. First synthesis of glucosinolates bearing an external thio-function

A general strategy was developed to synthesize ω-methylthioalkyl glucosinolates through a coupling reaction between 1-thio-β-D-glucopyranose and a hydroximoyl halide obtained from the corresponding nitroalkyl methylsulfide precursor.