CAS 3268-79-9

Thiocyanic acid, chloromethyl ester

Description:

Thiocyanic acid, chloromethyl ester, also known as chloromethyl thiocyanate, is an organic compound characterized by the presence of a thiocyanate functional group (-SCN) and a chloromethyl group (-CH2Cl). It is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity and potential toxicity. The compound is soluble in organic solvents and exhibits moderate stability under standard conditions, although it can decompose when exposed to moisture or strong bases. Thiocyanic acid, chloromethyl ester is primarily used in organic synthesis, particularly in the preparation of thiocyanate derivatives and other sulfur-containing compounds. Due to its reactivity, it can participate in nucleophilic substitution reactions, making it valuable in various chemical applications. However, it is important to handle this compound with care, as it may pose health risks, including irritation to the skin, eyes, and respiratory system. Proper safety measures should be employed when working with this substance in laboratory or industrial settings.

Formula: C₂H₂ClNS

InChI: InChI=1S/C2H2ClNS/c3-1-5-2-4/h1H2

InChI key: InChIKey=UXUCVNXUWOLPRU-UHFFFAOYSA-N

SMILES: S(CCl)C#N

Synonyms:

• (Chloromethyl)thiocyanogen
• 1-Chloro-1-thiocyanomethane
• Brn 1098487
• Chloro(Isothiocyanato)Methane
• Chloromethylthiocyanate
• Chloromethylthiocyanogen
• Nsc 96962
• Thiocyanic acid, chloromethyl ester
• Chloromethyl thiocyanate

[(chloromethyl)sulfanyl]carbonitrile

CAS: 3268-79-9

Formula: C₂H₂ClNS

Molecular weight: 107.5620

Ref: IN-DA003OU9

Chloromethyl thiocyanate

CAS: 3268-79-9

Chloromethyl thiocyanate is a cross-linking agent that is used in organic chemistry to introduce the chloromethyl group. It can be used for kinetic energy transfer, as a photoelectron, or as a cross-linking agent. Chloromethyl thiocyanate has been shown to react with metal surfaces, such as sodium carbonate, inorganic chloride, and chloride ions. The resulting products are conformational properties of the oxazolidinones. Chloromethyl thiocyanate is an efficient method for introducing the functional groups of chloromethyl at the site of interest. This reagent also has cholesterol acyltransferase activity which may be due to its ability to interact with cholesterol molecules on the surface of lipid bilayers.

Formula: C₂H₂ClNS

Purity: Min. 97%

Color and Shape: Clear Liquid

Molecular weight: 107.56 g/mol

Ref: 3D-FC02448