16588-26-4

Basic information

• Product Name: 3-BROMO-4-CHLORONITROBENZENE
• Synonyms: 1-BROMO-2-CHLORO-5-NITROBENZENE;3-BROMO-4-CHLORONITROBENZENE;Bromochloronitrobenzene;3-Bromo-4-chloronitrobenzene 95+%;3-BROMO-4-CHLORONITROBENZENE 97+%;2-bromo-1-chloro-4-nitrobenzene;Benzene,2-broMo-1-chloro-4-nitro-
• CAS NO: 16588-26-4
• Molecular Formula: C₆H₃BrClNO₂
• Molecular Weight: 236.45
• Product Categories: Miscellaneous
• Mol File: 16588-26-4.mol

Chemical Properties

• Melting Point: 58°C
• Boiling Point: 287.239 °C at 760 mmHg
• Flash Point: 127.518 °C
• Appearance: /
• Density: 1.827 g/cm³
• Vapor Pressure: 0.00434mmHg at 25°C
• Refractive Index: 1.618
• Storage Temp.: Room temperature.
• Solubility: soluble in Methanol
• CAS DataBase Reference: 3-BROMO-4-CHLORONITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-4-CHLORONITROBENZENE(16588-26-4)
• EPA Substance Registry System: 3-BROMO-4-CHLORONITROBENZENE(16588-26-4)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-24/25
• Hazardous Substances Data: 16588-26-4(Hazardous Substances Data)

Usage

Chemical Properties

Light yellow solid

InChI:InChI=1/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

Upstream product

• 13296-94-1 2-bromo-4-nitroaniline 
• 694-80-4 2-bromo-1-chlorobenzene 
• 7697-37-2 nitric acid 
• 2516-96-3 2-chloro-5-nitrobenzoic acid 
• 100-00-5 4-chlorobenzonitrile 
• 6283-25-6 H₂NC₆H₃(Cl)NO₂ 

Downstream Products

• 66658-87-5 4-(2-bromo-4-nitrophenoxy)benzonitrile 
• 1388225-44-2 ethyl 2-(2-bromo-4-nitrophenyl)-2-cyanoacetate 
• 64230-23-5 2-bromo-4-nitro-N,N-dimethylaniline 
• 738587-32-1 (2-bromo-4-nitro-phenyl)-(4-nitro-phenyl)-sulfide 
• 823-54-1 3-bromo-4-chloroaniline 
• 879085-55-9 vismodegib 
• 879088-41-2 4-chloro-3-(pyridin-2-yl)benzeneamine 
• 879088-40-1 2-(2-chloro-5-nitrophenyl)-pyridine 
• 1191028-50-8 6-bromo-5-chloro-1H-indole 

Relevant articles and documents

Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes

1. Four different rat glutathione S-transferase (GST) isoenzymes, belonging to three different classes, were examined for their GSH conjugating capacity towards 11 2-substituted 1-chloro-4-nitrobenzene derivatives. Significant differences were found in their enzyme kinetic parameters K(m), k(cat) and k(cat)/K(m). 2. Substrates with bulky substituents on the ortho-position appeared to have high affinities (low K(m)'s) for the active site of the GST-isoenzymes, suggesting that there is sufficient space in this area of the active site. A remarkably high K(m) (low affinity) was found for 2-chloro-5-nitropyridine towards all GST-isoenzymes examined. 3. GST 3-3 catalysed the reaction between GSH and the substrates most efficiently (high k(cat)) compared with the other GST-isoenzymes. Moreover, GST 3-3 showed clear substrate selectivities towards the substrates with a trifluoromethyl-, chlorine- and bromine-substituent. 1-Chloro-2,4-dinitrobenzene and 2-chloro-5-nitrobenzonitrile were most efficiently conjugated by all four GST-isoenzymes examined. 4. When the rate of the conjugation reactions was followed, a linear increase of formation of GS-conjugate could be seen for 2-chloro-5-nitrobenzonitrile during a much longer period of time than for 1-chloro-2,4-dinitrobenzene with all GST-isoenzymes examined. Therefore, it is suggested that 2-chloro-5-nitrobenzonitrile might be recommended as an alternative model substrate in GST-research.

CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS

Compounds of formula (1) or (2) and their use in the treatment of diseases or conditions for which a bromodomain inhibitor is indicated.

ORGANIC LIGHT-EMITTING DIODE MATERIALS

Described herin are molecules for use in organic light emitting diodes. Example molecules comprise at least one acceptor moiety A, at least one donor moiety D, and optionally one or more bridge moieties B. Each moiety A is covalently attached to either the moiety B or the moeity D, each moiety D is covalently attached to either the moeity B or the moeity A, and each B is covalently attached to at least one moiety A and at least one moiety D. Values and preferred values of moieties A, D and B are defined herein.

Inexpensive NaX (X = I, Br, Cl) as a halogen donor in the practical Ag/Cu-mediated decarboxylative halogenation of aryl carboxylic acids under aerobic conditions

Versatile and practical Ag/Cu-mediated decarboxylative halogenation between readily available aryl carboxylic acids and abundant NaX (X = I, Br, Cl) has been achieved under aerobic conditions in moderate to good yields. The halodecarboxylation is shown to be an effective strategy for S-containing heteroaromatic carboxylic acid and benzoic acids with nitro, chloro and methoxyl substituents at the ortho position. A gram-scale reaction and a three-step procedure to synthesize iniparib have been performed to evaluate the practicality of this protocol. A preliminary mechanistic investigation indicates that Cu plays a vital role and a radical pathway is involved in the transformation.

Tribromoisocyanuric acid in trifluoroacetic acid: An efficient system for smooth brominating of moderately deactivated arenes

Moderately deactivated arenes are efficiently brominated by the reaction with tribromoisocyanuric acid (0.34 mol equiv) in trifluoroacetic acid at room temperature in 48-85% isolated yield. This medium avoids the polybromination of the substrate, observed in the same reaction performed in 98% H 2SO4. Georg Thieme Verlag Stuttgart · New York.

Process for the production of 5-hydroxyoxazolidinones

PCT No. PCT/GB97/00130 Sec. 371 Date Jul. 28, 1998 Sec. 102(e) Date Jul. 28, 1998 PCT Filed Jan. 17, 1997 PCT Pub. No. WO97/28138 PCT Pub. Date Aug. 7, 1997A process for the production of hydroxy-substituted oxazolidinones, particularly 5-hydroxyoxazolidinones, which are useful as intermediates in the synthesis of herbicidally active compounds, comprising treating a hydroxythiazolidinone with an oxidizing agent.