18856-63-8

Basic information

• Product Name: 4-ETHYLPHENYL ISOTHIOCYANATE
• Synonyms: 4-ETHYLPHENYL ISOTHIOCYANATE 99%;4-ETHYLPHENYL ISOTHIOCYANATE;AKOS B016341;1-Ethyl-4-isothiocyanatobenzene;4-Ethylphenyl isothiocyate, 99%
• CAS NO: 18856-63-8
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• EINECS: -0
• Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 18856-63-8.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 245 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.075 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0229mmHg at 25°C
• Refractive Index: n20/D 1.62(lit.)
• Sensitive: Moisture Sensitive
• BRN: 2802384
• CAS DataBase Reference: 4-ETHYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ETHYLPHENYL ISOTHIOCYANATE(18856-63-8)
• EPA Substance Registry System: 4-ETHYLPHENYL ISOTHIOCYANATE(18856-63-8)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45
• RIDADR: UN 3265 8/PG 3
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 18856-63-8(Hazardous Substances Data)

Usage

Description

4-Ethylphenyl isothiocyanate, also known as 1-ethyl-4-isothiocyanatobenzene, is an isothiocyanate derivative with a unique chemical structure that features an ethyl group attached to a phenyl ring with an isothiocyanate functional group. 4-ETHYLPHENYL ISOTHIOCYANATE is known for its potential applications in various industries due to its chemical properties.

Uses

Used in Pharmaceutical Industry:
4-Ethylphenyl isothiocyanate is used as a bioactive compound for its potential therapeutic effects. It has been studied for its ability to modulate various biological pathways, making it a promising candidate for the development of new drugs targeting specific diseases.
Used in Agricultural Industry:
In the agricultural sector, 4-Ethylphenyl isothiocyanate is used as a natural pesticide due to its insecticidal and fungicidal properties. It can help control pests and diseases in crops, contributing to increased yield and reduced chemical pesticide use.
Used in Chemical Synthesis:
4-Ethylphenyl isothiocyanate serves as an important intermediate in the synthesis of various organic compounds, including pharmaceuticals, dyes, and other specialty chemicals. Its unique structure allows for further functionalization and modification to create a wide range of products.
Used in Research and Development:
Due to its unique chemical properties, 4-Ethylphenyl isothiocyanate is utilized in research and development for studying various chemical reactions and mechanisms. It can be used as a tool to understand the behavior of isothiocyanate derivatives and their potential applications in different fields.

InChI:InChI=1/C9H9NS/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3

Upstream product

• 95167-89-8 N-(4-ethyl-phenyl)-N'-phenyl-thiourea 
• 475424-95-4 N-(4-ethyl-phenyl)-N'-[1]naphthyl-thiourea 
• 75-15-0 carbon disulfide 
• 589-16-2 4-aminoethylbenzene 
• 463-71-8 thiophosgene 
• 89573-81-9 N,N'-bis-(4-ethyl-phenyl)-thiourea 

Downstream Products

• 102451-03-6 N-(4-ethyl-phenyl)-N'-(5-chloro-[2]pyridyl)-thiourea 
• 95167-89-8 N-(4-ethyl-phenyl)-N'-phenyl-thiourea 
• 770710-46-8 N-(4-ethylphenyl)-5-nitrobenzo[d]oxazole-2-amine 
• 1352429-18-5 N²-(4-ethylphenyl)benzo[d]oxazole-2,5-diamine 
• 1352429-19-6 N-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yl)-2-phenylacetamide 
• 474414-53-4 C₁₂H₁₇N₃O₂S 
• 1340150-65-3 C₁₀H₁₁N₃OS 
• 1425088-85-2 C₂₆H₂₃N₃S 
• 1425088-81-8 2-(5H-dibenzo[a,d][7]annulen-5-ylacetyl)-N-(4-ethylphenyl)hydrazinecarbothioamides 
• 890996-70-0 C₁₆H₁₇BrN₂S 
• 940062-88-4 C₁₁H₁₆N₂S 
• 1329429-66-4 3-(4-ethylphenyl)-1,1-dimethyl-2-phenyl-isothiourea 
• 1329429-64-2 N'-(4-ethylphenyl)-N,N-dimethyl-2-phenylsulfanyl-benzamidine 
• 1318765-42-2 (Z)-N-(4-ethylphenyl)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide 

Relevant articles and documents

A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts

A catalyst-free method for the preparation of 1,4,2-dithiazoles is developed by reactions of isothiocyanates with hydroxylamine triflic acid salts. This reaction achieves C-S, C-N, and S-N bond formation, and a range of products are obtained in moderate to good yields. The obvious feature is using shelf-stable hydroxylamine triflic acid salts as a N source to synthesize heterocycles under mild conditions.

p-Aromatic Isothiocyanates: Synthesis and Anti Plant Pathogen Activity

In this study, a series of p-aromatic isothiocyanates are prepared by reacting p-aromatic amines with carbon disulphide and further treating with molecular iodine to yield corresponding isothiocyanate derivatives. The structures of newly synthesized compounds are confirmed by IR, NMR, and MS data. Activity of the products against plant pathogenic fungi and bacteria is tested and the structure-activity relationship is approached. p-Nitrophenyl isothiocyanate most efficiently inhibits Rhizoctonia solani and Erwinia carotovora. The order of seven aromatic isothiocyanates antifungicidal activity is following: p-nitrophenyl > p-methoxyphenyl > p-chlorophenyl > p-methylphenyl > p-ethylphenyl > phenyl > p-fluorophenyl. For antibacterial activity, the order was p-nitrophenyl > p-chlorophenyl > p-methylphenyl > p-ethylphenyl > p-fluorophenyl > phenyl > p-methoxyphenyl. The present study indicates that some of the compounds exhibit promising antimicrobial activity and can be used as an alternative to the traditional synthetic fungicides for controlling R. solani and E. carotovora.

Synthesis and biological evaluation of arylthiourea derivatives with antitubercular activity

Tuberculosis (TB) is a contagious disease caused by Mycobacterium tuberculosis (M. tuberculosis), and remains one of the most life-threatening plagues for public health in the world. The emergence of drug resistant strains of TB and co-infection with HIV has further complicated TB treatment. Here, the synthesis and characterizaton of a series of compounds were described, and these were followed by evaluating for their antibacterial activity against M. tuberculosis. Several novel arylthiourea derivatives exhibited excellent activity (lowest MIC=0.09 μg/ml) against M. tuberculosis including drug resistant strains of M. tuberculosis. The results suggest that these compounds are promising candidates for new anti-TB agent development.