6623-66-1

Basic information

• Product Name: 6-NITRO-3,4-BENZOCOUMARIN
• Synonyms: 2’-hydroxy-5’-nitro-2-biphenylcarboxylicacidelta-lactone;2-nitro-6h-dibenzo(b,d)pyran-6-one;d)pyran-6-one,2-nitro-6h-dibenzo(;6-NITRO-3,4-BENZOCOUMARIN;2-NITRODIBENZOPYRANONE
• CAS NO: 6623-66-1
• Molecular Formula: C₁₃H₇NO₄
• Molecular Weight: 242.20692
• Mol File: 6623-66-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 259-261 °C (dec.)(lit.)
• Boiling Point: 383.97°C (rough estimate)
• Flash Point: 303.2°C
• Appearance: /
• Density: 1.3304 (rough estimate)
• Vapor Pressure: 2.4E-13mmHg at 25°C
• Refractive Index: 1.4800 (estimate)
• CAS DataBase Reference: 6-NITRO-3,4-BENZOCOUMARIN(CAS DataBase Reference)
• NIST Chemistry Reference: 6-NITRO-3,4-BENZOCOUMARIN(6623-66-1)
• EPA Substance Registry System: 6-NITRO-3,4-BENZOCOUMARIN(6623-66-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• RTECS: HP8757550
• Hazardous Substances Data: 6623-66-1(Hazardous Substances Data)

Usage

General Description

6-NITRO-3,4-BENZOCOUMARIN is a chemical compound with the molecular formula C16H9NO5. It belongs to the class of benzocoumarins and contains a nitro group. 6-NITRO-3,4-BENZOCOUMARIN has potential applications in the field of medicinal chemistry and drug development due to its reported biological activities such as antimicrobial and anticancer properties. Its structure consists of a fused benzene and coumarin ring system, with a nitro group attached at the 6th position. Further research into the properties and potential uses of 6-NITRO-3,4-BENZOCOUMARIN is ongoing to fully understand its capabilities.

InChI:InChI=1/C22H20BrN3S/c23-21-10-9-16(27-21)15-24-26-13-11-25(12-14-26)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,15,22H,11-14H2

Upstream product

• 1829-28-3 ethyl 2-iodobenzoate 
• 1195761-05-7 ethyl 3'-nitrobiphenyl-2-carboxylate 
• 100-02-7 4-nitro-phenol 
• 65-85-0 benzoic acid 
• 610-97-9 o-iodo-methyl-benzoic acid 
• 83527-96-2 methyl 3’-nitro-[1,1’-biphenyl]-2-carboxylate 
• 37174-74-6 3'-nitro-[1,1'-biphenyl]-2-carboxylic acid 
• 13331-27-6 m-nitrobenzene boronic acid 
• 947-84-2 2-Biphenylcarboxylic acid 
• 132605-35-7 C₁₁H₁₃N₃S 
• 85-01-8 phenanthrene 
• 2005-10-9 6H-benzo[c]chromen-6-one 

Downstream Products

• 83527-99-5 2-amino-6H-benzo[c]chromen-6-one 

Relevant articles and documents

Facile preparation of 3,4-benzocoumarins from 2-arylbenzoic acids with NCS and NAI

– Treatment of 2-arylbenzoic acids with N-chlorosuccinimide (NCS) and NaI at 70 °C under fluorescent lighting condition gave the corresponding 3,4-benzocoumarins in good yields under transition-metal-free condition. It was found that the reactivity of NCS

Palladium-Catalyzed Direct Annulation of Benzoic Acids with Phenols to Synthesize Dibenzopyranones

Direct annulation of benzoic acids with phenols via palladium-catalyzed oxidative coupling is reported. Readily available and inexpensive starting materials were used in this novel method to synthesize highly valuable and useful dibenzopyranone scaffolds.

Reactions of gas-phase phenanthrene under simulated atmospheric conditions

Rate constants for the gas-phase reactions of phenanthrene with OH radicals, NO3 radicals, and O3 have been determined at 296 ± 2 K and atmospheric pressure of air. The rate constants obtained (in cm3 molecule- 1 s-1 units) were (1.27 ± 0.23) x 10-11 for the OH radical reaction, (1.2 ± 0.4) x 10-13 for the NO3 radical reaction under atmospheric conditions, and (4.0 ± 1.0) x 10-19 for the O3 reaction. These rate constants indicate that the OH radical and NO3 radical reactions will be the dominant atmospheric loss processes for phenanthrene and that the overall atmospheric lifetime of gas-phase phenanthrene will be ≤1 day. Mutagenicity bioassays and chemical analyses of the products of the NO3 radical reaction and NO(x)-air photooxidation of phenanthrene were also conducted.