79603-03-5

Basic information

• Product Name: BENZONITRILE, 4-BROMO-2-NITRO-
• Synonyms: 4-BROMO-2-NITROBENZONITRILE;BENZONITRILE, 4-BROMO-2-NITRO-;4-Bromo-1-cyano-2-nitrobenzene;NSC 158356
• CAS NO: 79603-03-5
• Molecular Formula: C₇H₃BrN₂O₂
• Molecular Weight: 227.017
• Mol File: 79603-03-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 335.2 °C at 760 mmHg
• Flash Point: 156.5°C
• Appearance: /
• Density: 1.81g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.638
• CAS DataBase Reference: BENZONITRILE, 4-BROMO-2-NITRO-(CAS DataBase Reference)
• NIST Chemistry Reference: BENZONITRILE, 4-BROMO-2-NITRO-(79603-03-5)
• EPA Substance Registry System: BENZONITRILE, 4-BROMO-2-NITRO-(79603-03-5)

Safety Data

• Hazardous Substances Data: 79603-03-5(Hazardous Substances Data)

Usage

General Description

Benzonitrile, 4-bromo-2-nitro- is a chemical compound utilized typically in organic synthesis and research. Its formula is C7H3BrN2O2 and it appears as a yellow solid with a slight distinctive odor. Being a nitrile, this compound exhibits properties typical of nitriles such as the presence of a polar C≡N triple bond which allows for various reactions. It is used in the industrial setting primarily for the creation of chemical intermediates. This chemical must be handled with care, as exposure can potentially cause irritation to the eyes, skin, and respiratory tract. It is recommended to avoid inhaling or ingesting it directly, and to use it as per safety guidelines in a controlled environment.

InChI:InChI=1/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H

Upstream product

• 99277-71-1 4-bromo-2-nitrobenzoic acid 
• 3460-18-2 1,4-dibromo-2-nitrobenzene 
• 544-92-3 copper(I) cyanide 
• 875-51-4 4-Bromo-2-nitroaniline 
• 304858-65-9 2-amino-4-bromobenzonitrile 
• 115049-55-3 6-bromo-3-(hydroxyimino)indolin-2-one 
• 6326-79-0 6-bromoisatin 
• 65971-74-6 N-(3-bromophenyl)-2-(hydroxyimino)ethanamide 
• 591-19-5 m-Bromoaniline 

Downstream Products

• 859184-22-8 2-amino-4-bromo-benzoic acid-(2-chloro-ethyl ester) 
• 1382039-43-1 4-cyano-N-{2-cyano-5-[1-(2-methyl-5-pentafluoroethyl-4-trifluoromethyl-2H-pyrazol-3-yl)-1H-[1,2,3]triazol-4-yl]-phenyl}-2-methyl-benzamide 
• 304858-65-9 2-amino-4-bromobenzonitrile 
• 1027345-15-8 tert-butyl 4-(4-cyano-3-nitrophenyl)piperazine-1-carboxylate 
• 1630951-34-6 7-(4-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one 
• 1630951-33-5 7-(4-((5-phenylpyridin-3-yl)methyl)piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one 
• 1630951-32-4 7-(4-((4'-fluorobiphenyl-4-yl)methyl)piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one 
• 1630951-31-3 7-(4-(biphenyl-4-ylmethyl)piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one 
• 1630951-21-1 tert-butyl 4-(3-amino-4-(aminomethyl)phenyl)piperazine-1-carboxylate 
• 1630951-20-0 tert-butyl 4-(3-acetamido-4-(acetamidomethyl)phenyl)piperazine-1-carboxylate 
• 1630951-35-7 7-(4-(3-cyclopentenylbenzyl)piperazin-1-yl)-3,4-dihydroquinazolin-2(1H)-one 
• 1382041-54-4 2-amino-4-[1-(2-methyl-5-pentafluoroethyl-4-trifluoromethyl-2H-pyrazol-3-yl)-1H-[1,2,3]triazol-4-yl]-benzonitrile 
• 1382041-50-0 4-[1-(2-methyl-5-pentafluoroethyl-4-trifluoromethyl-2H-pyrazol-3-yl)-1H-[1,2,3]triazol-4-yl]-2-nitro-benzonitrile 
• 1382041-60-2 4-ethynyl-2-nitro-benzonitrile 

Relevant articles and documents

Ag/Cu-mediated decarboxylative cyanation of aryl carboxylic acids with K4Fe(CN)6 under aerobic conditions

A method for facile synthesis of aryl nitriles has been well established via Ag/Cu-mediated decarboxylative cyanation of benzoic acids with K4Fe(CN)6 under aerobic conditions. The approach of using readily accessible aryl carboxylic acids and green K4Fe(CN)6 as starting material provides a feasible alternative to previous cyanation protocols. Control experiments revealed the key role of Cu for the process and excluded the possibility of a radical mechanism for the transformation.

An electroluminescent compound and an electroluminescent device comprising the same

The present invention relates to organic light emitting compounds represented by chemical formula 1-1 to chemical formula 1-2. An organic electroluminescent device using the same has excellent light emitting efficiency and can be driven at low voltage, thereby having improved power efficiency and long life characteristics.COPYRIGHT KIPO 2015

Synthesis and dual D2 and 5-HT1A receptor binding affinities of 7-piperazinyl and 7-piperidinyl-3,4-dihydroquinazolin-2(1H)-ones

A series of new 7-piperazinyl and 7-piperidinyl-3,4-dihydroquinazolin-2(1H) -ones has been synthesized. The described compounds are structurally related to adoprazine, a potential atypical antipsychotic bearing potent D2 receptor antagonist and 5-HT1A receptor agonist properties. Suitably modified aryl bromides were prepared and condensed with tert-butyl piperazine-1-carboxylate to afford the advanced intermediate piperazinyl-3,4-dihydroquinazolin-2(1H)-one. Likewise Suzuki-Miyaura cross-coupling reaction of cyclic vinyl boronate with appropriate aryl bromides rendered piperidinyl-3,4-dihydroquinazolin-2(1H)-one. The reductive amination of the piperazinyl and piperidinyl-3,4- dihydroquinazolin-2(1H)-ones with suitably designed biarylaldehydes accomplished the synthesis of these title compounds. The described compounds were screened for D2 and 5-HT1A receptors binding affinities. The structure-activity relationship studies revealed that cyclopentenylpyridine and cyclopentenylbenzyl groups contribute significantly to the dual D2 and 5-HT1A receptor binding affinities of these compounds.