542-76-7 Usage
Uses
Used in Pharmaceutical Synthesis:
3-Chloropropiononitrile is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique reactivity allows for the creation of a wide range of medicinal compounds, contributing to the development of new and improved pharmaceuticals.
Used in Polymer Synthesis:
In the polymer industry, 3-chloropropiononitrile is utilized as a monomer or a building block for the synthesis of different types of polymers. Its reactivity and versatility enable the production of polymers with specific properties, such as enhanced strength, flexibility, or chemical resistance, depending on the desired application.
General Description:
3-Chloropropiononitrile is a combustible, colorless liquid with an acrid odor. Its unique chemical properties make it a valuable intermediate in the synthesis of pharmaceuticals and polymers, thanks to the increased reactivity of the chlorine atom due to the presence of the cyano group.
Reactivity Profile
Toxic gas (hydrogen chloride) is released when the compound is heated above 266 F. When heated to decomposition, 3-Chloropropiononitrile emits very toxic fumes of chlorine- containing compounds and nitrogen oxides. Avoid heat. [EPA, 1998].
Hazard
Toxic by ingestion, inhalation, and skin
contact. Combustible.
Health Hazard
Toxic effects are a result of systemic cyanide poisoning. (Non-Specific -- Cyanide) Few poisons are more rapidly lethal. Average oral lethal dose for hydrogen cyanide is approximately 60-90 mg (corresponds to 200 mg of potassium cyanide). Cause of death is lack of oxygen to the body's cells (especially the brain and heart) as a result of the chemical inhibiting cell enzymes.
Fire Hazard
Toxic gas (hydrogen chloride) is released when the compound is heated above 266F. When heated to decomposition, 3-Chloropropiononitrile emits very toxic fumes of chlorine- containing compounds and nitrogen oxides. Avoid heat.
Potential Exposure
This material is used in pharmaceutical manufacture and in polymer synthesis.
Shipping
UN3276 Nitriles, liquid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required, Potential Inhalation Hazard (Special Provision 5).
Incompatibilities
Contact with strong oxidizers may cause a fire and explosion hazard
Check Digit Verification of cas no
The CAS Registry Mumber 542-76-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,4 and 2 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 542-76:
(5*5)+(4*4)+(3*2)+(2*7)+(1*6)=67
67 % 10 = 7
So 542-76-7 is a valid CAS Registry Number.
InChI:InChI=1/C3H4ClN/c4-2-1-3-5/h1-2H2
542-76-7Relevant articles and documents
METHOD OF CONVERTING ALCOHOL TO HALIDE
-
Page/Page column 53; 132; 142; 143, (2017/01/02)
The present invention relates to a method of converting an alcohol into a corresponding halide. This method comprises reacting the alcohol with an optionally substituted aromatic carboxylic acid halide in presence of an N-substituted formamide to replace a hydroxyl group of the alcohol by a halogen atom. The present invention also relates to a method of converting an alcohol into a corresponding substitution product. The second method comprises: (a) performing the method of the invention of converting an alcohol into the corresponding halide; and (b) reacting the corresponding halide with a nucleophile to convert the halide into the nucleophilic substitution product.
HYDROCHLORINATION OF ELECTRON-DEFICIENT ALKENES
-
Page/Page column 5, (2012/07/31)
The present invention pertains to a method for the hydrochlorination of electron deficient alkenes, particularly alkenes having the functional groups COOH, CONH2, and CN. Specific alkenes discussed include acrylic acid, crotonic acid, methacrylic acid, acrylonitrile, acrylamide, and methacrylonitrile. The alkene is combined with a primary or secondary alcohol (e.g., isopropanol) and an acid chloride (e.g., acetyl chloride) under conditions suitable to chlorinate the alkene. Products formed by the invention include 3-chorosubstituted carbonyl compounds such as 3-chlorpropionic acid (3-CPA), 3-chloropropionamide (3-CPAD), and 3-chloropropionitrile among other products.
Trimethylchlorosilane and water. Convenient reagents for the regioselective hydrochlorination of olefins
Boudjouk, Philip,Kim, Beon-Kyu,Han, Byung-Hee
, p. 3479 - 3484 (2007/10/03)
The hydrochlorination of a series of simple and functionalized olefins in high yields was readily accomplished using a mixture of trimethylchlorosilane and water. Hydrochlorination by this procedure is chemoselective and regioselective.
AN EFFICIENT ONE-POT SYNTHESIS OF NITRILES FROM ACID CHLORIDES
Hulkenberg, A.,Troost, J.J.
, p. 1505 - 1508 (2007/10/02)
Treatment of aliphatic, aromatic as well as heterocyclic acid chlorides with sulfonamide in sulfolane at 120 deg C for 3 hours produces the corresponding nitriles in high yields.
