186589-12-8

Basic information

• Product Name: 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
• Synonyms: 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE;4-Bromo-1-isocyanato-2-(trifluoromethyl)benzene
• CAS NO: 186589-12-8
• Molecular Formula: C8H3BrF3NO
• Molecular Weight: 266.01
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 186589-12-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 115 °C10 mm Hg(lit.)
• Flash Point: 230 °F
• Appearance: /
• Density: 1.699 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0497mmHg at 25°C
• Refractive Index: n20/D 1.524(lit.)
• CAS DataBase Reference: 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE(186589-12-8)
• EPA Substance Registry System: 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE(186589-12-8)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: KEEP COLD, LACHRYMATOR, TOXIC, C
• Hazardous Substances Data: 186589-12-8(Hazardous Substances Data)

Usage

Description

4-Bromo-2-(trifluoromethyl)phenyl isocyanate is a chemical compound characterized by the molecular formula C8H4BrF3NO. It is a highly reactive and toxic substance, known for its significant role in the synthesis of pharmaceuticals, agrochemicals, and polymers, as well as in the production of various organic compounds.

Uses

Used in Pharmaceutical Industry:
4-Bromo-2-(trifluoromethyl)phenyl isocyanate is used as a key intermediate in the synthesis of pharmaceuticals for its ability to form complex molecular structures that can target specific biological pathways.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Bromo-2-(trifluoromethyl)phenyl isocyanate is utilized as a building block in the creation of pesticides and other crop protection agents, contributing to the development of effective and targeted solutions for agricultural challenges.
Used in Polymer Industry:
4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE is employed as a monomer or a reactive component in the production of polymers, where its unique properties can enhance the performance characteristics of the resulting materials, such as durability, stability, or specific chemical reactivity.
Used in Organic Synthesis:
4-Bromo-2-(trifluoromethyl)phenyl isocyanate is used as a versatile reagent in organic synthesis, allowing for the creation of a wide range of organic compounds with diverse applications across various industries.
It is crucial to handle 4-Bromo-2-(trifluoromethyl)phenyl isocyanate with care due to its potential health hazards, which include skin and eye irritation, respiratory issues, and other adverse effects. Inhalation or ingestion should be strictly avoided to prevent harm to human health from extended exposure.

InChI:InChI=1/C8H3BrF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H

Relevant articles and documents

Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such

Compounds of formula (I): wherein X is O or S, R1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R2 is H. alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R3 and R4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R3 and R4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R5 is H, halogen, trifluoromethyl, —CN, or —NO2; not all of R3, R4, and R5 being H, R6 and R9 are H, halogen, OH; alkyl. hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R7 and R8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R7 and R8 not being H or halogen; or one of R7 and R8 is a pharmaceutically acceptable ester or thioester grouping, or R6 is C1-3-alkyl or, together with either R1 or R2, represents C1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.