3598-68-3

Basic information

• Product Name: 3-(NITROMETHYL)-2-BENZOFURAN-1(3H)-ONE
• Synonyms: 3-(NITROMETHYL)-2-BENZOFURAN-1(3H)-ONE;3-(Nitromethyl)-2-benzofuran-1(3H)-one ,95%;3-(NitroMethyl)isobenzofuran-1(3H)-one;3-(nitromethyl)-3H-2-benzofuran-1-one
• CAS NO: 3598-68-3
• Molecular Formula: C₉H₇NO₄
• Molecular Weight: 193.16
• Mol File: 3598-68-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 126-129°C
• Boiling Point: 405.3°Cat760mmHg
• Flash Point: 214.6°C
• Appearance: /
• Density: 1.38g/cm³
• Vapor Pressure: 8.85E-07mmHg at 25°C
• Refractive Index: 1.575
• CAS DataBase Reference: 3-(NITROMETHYL)-2-BENZOFURAN-1(3H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(NITROMETHYL)-2-BENZOFURAN-1(3H)-ONE(3598-68-3)
• EPA Substance Registry System: 3-(NITROMETHYL)-2-BENZOFURAN-1(3H)-ONE(3598-68-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 3598-68-3(Hazardous Substances Data)

Usage

Uses

3-Nitromethylphthalide (cas# 3598-68-3) is a compound useful in organic synthesis.

InChI:InChI=1/C9H7NO4/c11-9-7-4-2-1-3-6(7)8(14-9)5-10(12)13/h1-4,8H,5H2/t8-/m0/s1

Upstream product

• 75-52-5 nitromethane 
• 119-67-5 o-carboxybenzaldehyde 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 

Downstream Products

• 97049-84-8 3-(aminomethyl)-2-3-dihydro-2-(phenylmethyl)-1H-isoindol-1-one 
• 97049-78-0 2,3-dihydro-3(nitromethyl)-2-phenylmethyl-1H-isoindol-1-one 
• 82359-81-7 2,3-dihydro-3-methylene-2-benzyl-1H-isoindolone 
• 115912-92-0 2-(2-nitroethyl)benzoic acid 
• 35690-69-8 3-aminomethyl-phthalide; hydrochloride 
• 97049-76-8 methyl (E)-2-(2-nitrovinyl)benzoate 

Relevant articles and documents

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A New Procedure for Regiospecific Syntheses of Benzopyran-1-ones

A new, general route to benzopyran-1-ones 33 from phthalaldehydic acids 27 and nitroalkanes 28 is described.The sequence permits strightforward variation of both the 3-substituent and the pattern of functionalization on the aromatic ring of the benzopyran

Research on antitumor chemotherapy: X. β Nitrostyrene and nitrovinyl derivatives

In previous work, the antitumoral cytotoxicity of β nitrostyrenes obtained by simplification of the aristolochic acid molecule was demonstrated. The effect of modifying the 3 characteristic parts of the β nitrostyrene molecule was then investigated. Results in vitro and in vivo indicate a probable mechanism of action for the β nitrostyrene and nitrovinyl compounds studied, and permit definition of the maximum simplification compatible with retention of biological activity.