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1,4-bis(thiocyanatomethyl)benzene is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

62855-80-5

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62855-80-5 Usage

Molecular Structure

A benzene ring with two thiocyanatomethyl (SCN-CH2-) groups attached in the 1 and 4 positions

Appearance

Not specified

Physical State

Likely a solid, based on its molecular structure

Odor

Not specified

Solubility

Not specified, but likely soluble in organic solvents due to its nonpolar nature

Density

Not specified

Boiling Point

Not specified

Melting Point

Not specified

Flash Point

Not specified

Reactivity

Stable under normal conditions, but may react with strong acids, bases, or oxidizing agents

Uses

Building block in the synthesis of diverse organic compounds
Ligand in coordination chemistry
Preparation of coordination polymers and metal-organic frameworks
Production of dyes, agrochemicals, and pharmaceuticals

Applications

Versatile building block in organic synthesis
Formation of coordination complexes with various metal ions

Hazards

Not specified, but may pose inhalation, ingestion, or skin contact hazards due to its chemical nature

Safe Handling

Use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat when handling 1,4-bis(thiocyanatomethyl)benzene

Storage

Store in a cool, dry place, away from heat, sparks, and open flames

Disposal

Dispose of according to local regulations and guidelines for hazardous chemicals

Regulatory Status

Not specified, but may be subject to chemical handling and disposal regulations depending on the jurisdiction

Check Digit Verification of cas no

The CAS Registry Mumber 62855-80-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,2,8,5 and 5 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 62855-80:
(7*6)+(6*2)+(5*8)+(4*5)+(3*5)+(2*8)+(1*0)=145
145 % 10 = 5
So 62855-80-5 is a valid CAS Registry Number.

62855-80-5Downstream Products

62855-80-5Relevant academic research and scientific papers

Thiocyanation and 2-Amino-1,3-thiazole Formation in Water Using Recoverable and Reusable Glycosylated Resorcin[4]arene Cavitands

Husain, Ali A.,Bisht, Kirpal S.

, p. 9928 - 9935 (2020/09/03)

A family of three spatially directional resorcin[4]arene cavitand glycoconjugates (RCGs) have been applied as efficient recoverable and reusable inverse phase transfer catalysts for eco- A nd environmentally friendly thiocyanation and 2-amino-1,3-thiazole formation reactions in water. The results show that RCGs (1 mol %) were capable of hosting and catalyzing various water-insoluble bromo/thiocyanato substrates in water without the use of any co-organic solvents. The recoverability and reusability of RCG catalytic systems, that is, RCG1 and RCG3, were also examined upon a simple extraction of the desired products using DCM or ethyl acetate, followed by subjecting the recovered aqueous solution containing the RCG catalysts to the next reaction cycles.

Potent anti-proliferative activities of organochalcogenocyanates towards breast cancer

Banerjee, Kaustav,Padmavathi, Ganesan,Bhattacherjee, Debojit,Saha, Suchismita,Kunnumakkara, Ajaikumar B.,Bhabak, Krishna P.

, p. 8769 - 8782 (2018/11/30)

The pharmacological importance, particularly the anti-cancer and chemopreventive potentials, of organochalcogen compounds has attracted wide research attention recently. Herein we describe the synthesis of a series of organochalcogenocyanates that have one or more selenocyanate or thiocyanate units in a single molecule. The anti-proliferative activity of these organochalcogenocyanates in different breast cancer cells shows that selenocyanates exhibit much higher anti-proliferative activities than thiocyanates in general. Our study reveals that the activity of benzyl selenocyanate (1, BSC) could be significantly enhanced by 4-nitro substitution (12), which was more selective towards triple-negative breast cancer cells (MDA-MB-231) over other ER+ breast cancer cells (MCF-7 and T-47D). Furthermore, to the best of our knowledge, this is the first report on the synthesis of compounds having more than two selenocyanate units with promising anti-proliferative activities. Our studies further indicate that the apoptotic activities of selenocyanates are associated with modulation of cellular morphology and cell cycle arrest at S-phase. Selenocyanates also inhibited cellular migration and exhibited weak antioxidant activities. An effective binding interaction of compound 12 with serum albumin indicates its feasible transport in the bloodstream for its enhanced anti-cancer properties. Mechanistic studies by western blot analysis demonstrate that benzylic selenocyanates exhibit anti-proliferative activities by modulating key cellular proteins such as Survivin, Bcl-2 and COX-2; this was further supported by molecular docking studies. The results of this study would be helpful in designing suitable chemotherapeutic and chemopreventive drugs in the future.

Ionic liquid brush as a highly efficient and reusable catalyst for on-water nucleophilic substitutions

Li, Jing,Cao, Jing-Jing,Wei, Jun-Fa,Shi, Xian-Ying,Zhang, Li-Hui,Feng, Jin-Juan,Chen, Zhan-Guo

supporting information; experimental part, p. 229 - 233 (2011/03/20)

A very efficient and reusable catalyst has been developed for the on-water nucleophilic substitution of alkyl halides and tosylates with azide or thiocyanate in excellent to quantitative yields. The reaction proceeds smoothly and cleanly without any organic cosolvent or other adductive, and the brush can be reused at least 10 times without noticeable loss of the catalytic activity. The high efficiency, simplicity of product and catalyst isolation, outstanding recyclability, and organic-solvent-free conditions show promise for the use of this catalyst in the laboratory and in industry. A highly efficient and reusable ionic liquid brush catalyst has been developed for the on-water nucleophilic substitution of alkyl halides and tosylates with azide or thiocyanate in excellent to quantitative yields without any organic cosolvent or other adductive. The catalyst can be reused at least 10 times without noticeable loss of the catalytic activity. Copyright

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