78288-94-5

Basic information

• Product Name: 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine
• Synonyms: 7-nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepine;7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine;3, 4-dihydro-7-nitro-2H-benzo[b][1,4]dioxepine;2H-1,5-Benzodioxepin, 3,4-dihydro-7-nitro-
• CAS NO: 78288-94-5
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.17476
• Mol File: 78288-94-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 311.7 °C at 760 mmHg
• Flash Point: 150.3 °C
• Appearance: /
• Density: 1.319 g/cm³
• Vapor Pressure: 0.00102mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine(CAS DataBase Reference)
• NIST Chemistry Reference: 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine(78288-94-5)
• EPA Substance Registry System: 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine(78288-94-5)

Safety Data

• Hazardous Substances Data: 78288-94-5(Hazardous Substances Data)

Usage

General Description

7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine is a chemical compound with the molecular formula C9H7NO4. It is a nitro-substituted benzodioxepine derivative that has been studied for its potential applications in the field of pharmaceuticals. 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine is of interest due to its unique chemical structure and potential biological activity, which makes it a target for further research and development. Its chemical properties and potential uses make it an important compound for further study and investigation.

InChI:InChI=1/C9H9NO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2

Upstream product

• 7216-18-4 3,4-dihydro-2H-benzo[b][1,4]dioxepine 
• 3316-09-4 1,2-dihydroxy-4-nitrobenzene 
• 109-64-8 1,3-dibromo-propane 

Downstream Products

• 175136-34-2 3,4-dihydro-7-amino-2H-1,5-benzo[b][1,4]dioxepin 
• 33631-94-6 3,4-dihydro-7-acetamido-2H-1,5-benzodioxepin 

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Nitration of 1,2-alkylenedioxybenzenes 1 furnished the respective nitro derivatives 3 and 4 in the relative ratios: 4a:3a/100:trace, 4b:3b/98:2.4, 4c:3c/86:14, 4e:3e/91:9, 4f:3f/99:1.3.Nitration of 4 gave 5a:6a:8a/0:0:100, 5b:6b:8b/7.7:3.2:89, 5c:6c:8c/23:12:65, 5d:6d:8d/14:74:12, 5e:6e:8e/27:18:55 and 5f:6f:8f/23:7.0:70.Nitration of the isomeric 3 afforded the dinitroproducts 5, 6 and 7 in the following relative ratios: 5a:6a:7a/92:8:0, 5b:6b:7b/80:20:0, 5c:6c:7c/69:20:11, 5d:6d:7d/45:19:36, 5e:6e:7e/37:57:5.9 and 5f:6f:7f/64:36:0.Nitration of 3-nitro-1,2-dimethoxybenzene (9) furnished: 10:11/63:37.Orientation as a function of the h eterocyclic ring-size is discussed.