2493-02-9

Basic information

• Product Name: 4-BROMOPHENYL ISOCYANATE
• Synonyms: P-BROMOPHENYL ISOCYANATE;p-Bromophenylcarbonimide;1-bromo-4-isocyanato-benzen;1-Bromo-4-isocyanatobenzene;Benzene, 1-bromo-4-isocyanato-;Isocyanic acid p-bromophenyl ester;isocyanicacid,p-bromophenylester;p-Bromocarbanil
• CAS NO: 2493-02-9
• Molecular Formula: C₇H₄BrNO
• Molecular Weight: 198.02
• EINECS: 219-662-9
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 2493-02-9.mol
• Article Data: 28

Chemical Properties

• Melting Point: 42-44 °C(lit.)
• Boiling Point: 158 °C14 mm Hg(lit.)
• Flash Point: 229 °F
• Appearance: White to light beige/Crystalline Solid
• Density: 1.6077 (rough estimate)
• Refractive Index: 1.5500 (estimate)
• Storage Temp.: Refrigerator (+4°C)
• Solubility: diethyl ether: very slightly soluble
• Water Solubility: Sparingly soluble in water (0.40 g/L at 25°C).
• Sensitive: Moisture Sensitive
• Merck: 14,1430
• BRN: 508203
• CAS DataBase Reference: 4-BROMOPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMOPHENYL ISOCYANATE(2493-02-9)
• EPA Substance Registry System: 4-BROMOPHENYL ISOCYANATE(2493-02-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 7-26-27-36/37/39
• RIDADR: 2206
• WGK Germany: 3
• RTECS: CY9035500
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 2493-02-9(Hazardous Substances Data)

Usage

Chemical Properties

WHITE TO LIGHT BEIGE CRYSTALLINE SOLID

Uses

Different sources of media describe the Uses of 2493-02-9 differently. You can refer to the following data:
1. preparation of bromophenylurea and urethan derivatives.
2. 4-Bromophenyl isocyanate is used in the synthesis of mixed bisamide derivative and monoamide product.
3. 4-Bromophenyl isocyanate was used in the synthesis of mixed bisamide derivative and monoamide product.

InChI:InChI=1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

Upstream product

• 106-40-1 4-bromo-aniline 
• 503-38-8 trichloromethyl chloroformate 
• 25203-36-5 methyl N-(4-bromophenyl)carbamate 
• 7451-53-8 ethyl N-(4-bromophenyl)carbamate 
• 14917-59-0 p-bromobenzoyl azide 
• 2617-78-9 N-(4-bromophenyl)formamide 
• 82892-00-0 N-(4-bromobenzoyl)imidazole 
• 586-76-5 4-Bromobenzoic acid 
• 698-67-9 p-bromobenzamide 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 1836-27-7 4-bromo-N-hydroxybenzamide 
• 264907-75-7 2-[(E)-4-Bromo-phenylimino]-3-hydroperoxy-3-methyl-butyronitrile 
• 264907-65-5 2-(4-bromophenylamino)-3-methylbut-2-enenitrile 
• 124-38-9 carbon dioxide 

Downstream Products

• 15460-43-2 aziridine-1-carboxylic acid-(4-bromo-anilide) 
• 100622-46-6 N-((4-bromophenyl)carbamoyl)benzamide 
• 40101-31-3 2-(4-bromophenyl)isoindoline-1,3-dione 
• 936495-34-0 C₃₁H₄₂Br₂N₂O₇ 
• 936495-35-1 C₃₁H₄₂Br₂N₂O₇ 
• 82435-88-9 3-(4-Bromo-phenyl)-6-methyl-2-thioxo-2,3-dihydro-thiazolo[3,2-a][1,3,5]triazin-4-one 
• 81125-01-1 C₁₅H₁₄BrN₃O₃ 

Relevant articles and documents

Synthesis and structure-activity relationship study of pyrrolidine-oxadiazoles as anthelmintics against Haemonchus contortus

Parasitic roundworms (nematodes) are significant pathogens of humans and animals and cause substantive socioeconomic losses due to the diseases that they cause. The control of nematodes in livestock animals relies heavily on the use of anthelmintic drugs. However, their extensive use has led to a widespread problem of drug resistance in these worms. Thus, the discovery and development of novel chemical entities for the treatment of parasitic worms of humans and animals is needed. Herein, we describe our medicinal chemistry optimization efforts of a phenotypic hit against Haemonchus contortus based on a pyrrolidine-oxadiazole scaffold. This led to the identification of compounds with potent inhibitory activities (IC50 = 0.78–22.4 μM) on the motility and development of parasitic stages of H. contortus, and which were found to be highly selective in a mammalian cell counter-screen. These compounds could be used as suitable chemical tools for drug target identification or as lead compounds for further optimization.

Decarboxylative Organocatalytic Allylic Amination of Morita–Baylis–Hillman Carbamates

The present study reports the organocatalytic enantioselective allylic amination of Morita–Baylis–Hillman carbamates efficiently catalyzed by a chiral amine in the presence of a Br?nsted acid. Chiral allylic amines were produced in high yields (up to 98 %) and enantioselectivities (up to 97 % ee). This method provides an efficient and easily performed route to prepare α-methylene-β-lactams, and other optically active β-lactams, such as the cholesterol-lowering drug Ezetimibe.

2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone compounds and application thereof

The invention belongs to the technical field of medicines and relates to 2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone compounds and an application thereof. 2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone derivatives comprise stereisomers and pharmaceutically applicable salts of the compounds and have the general structural formula shown in the description, wherein R is described inthe claims and description. The 2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone derivatives and pharmaceutically applicable acid-added salts of the compounds can be combined with existing medicines or used separately to serve as influenza virus inhibitors to treat influenza and have better curative effects on various type-A influenza in particular.