23165-44-8

Basic information

• Product Name: 4-N-BUTYLPHENYL ISOTHIOCYANATE
• Synonyms: 4-BUTYLPHENYL ISOTHIOCYANATE;4-N-BUTYLPHENYL ISOTHIOCYANATE;1-BUTYL-4-ISOTHIOCYANATO-BENZENE;benzene, 1-butyl-4-isothiocyanato-;4-Butylphenyl isothiocyate, 98%
• CAS NO: 23165-44-8
• Molecular Formula: C₁₁H₁₃NS
• Molecular Weight: 191.29
• Mol File: 23165-44-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 150 °C
• Flash Point: 150-154°C/14mm
• Appearance: /
• Density: 1.04
• Vapor Pressure: 0.00347mmHg at 25°C
• Refractive Index: 1.5950
• Sensitive: Moisture Sensitive
• BRN: 2968088
• CAS DataBase Reference: 4-N-BUTYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-BUTYLPHENYL ISOTHIOCYANATE(23165-44-8)
• EPA Substance Registry System: 4-N-BUTYLPHENYL ISOTHIOCYANATE(23165-44-8)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 23165-44-8(Hazardous Substances Data)

Usage

Description

4-N-Butylphenyl isothiocyanate is a chemical compound that belongs to the class of isothiocyanates. It is known for its potential anticancer properties and has been studied for its ability to inhibit the growth of cancer cells and induce apoptosis in various cancer cell lines. 4-N-BUTYLPHENYL ISOTHIOCYANATE also shows promise as an antimicrobial agent, particularly in the development of novel antibiotics.

Uses

Used in Pharmaceutical Industry:
4-N-Butylphenyl isothiocyanate is used as an anticancer agent for its potential to inhibit the growth of cancer cells and induce apoptosis in various cancer cell lines. Its application in this industry is driven by the need for novel and effective cancer treatments.
Used in Antimicrobial Development:
4-N-Butylphenyl isothiocyanate is used as a potential antimicrobial agent in the development of novel antibiotics. Its application in this field is due to its ability to combat drug-resistant bacteria and contribute to the discovery of new antimicrobial compounds.
Further studies are warranted to fully understand the therapeutic potential of 4-N-butylphenyl isothiocyanate in both the pharmaceutical and antimicrobial industries.

InChI:InChI=1/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3

Upstream product

• 104-13-2 4-Butylaniline 
• 463-71-8 thiophosgene 

Downstream Products

• 902637-62-1 1-allyl-3-(4-buthylphenyl)thiourea 
• 905484-83-5 C₁₆H₂₄N₂S 
• 1421761-41-2 C₃₀H₄₂N₄O₂S 
• 693255-81-1 C₁₅H₂₂N₂OS 
• 1434159-09-7 N²,N⁵-bis(4-butylphenyl)-1,3,4-thiadiazole-2,5-diamine 
• 905492-23-1 N₁,N₂-bis(4-butylphenyl)-1,2-hydrazinedicarbothioamide 
• 111412-46-5 4-(4-butyl-phenyl)-1-phenyl thiosemicarbazide 

Relevant articles and documents

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.

ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME

The present invention provides glucosinolate and isothiocyante compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.