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Home > Encyclopedia > 6-Nitro-1,3-benzodioxole-5-carboxaldehyde

6-Nitro-1,3-benzodioxole-5-carboxaldehyde

6-Nitro-1,3-benzodioxole-5-carboxaldehyde structure

6-Nitro-1,3-benzodioxole-5-carboxaldehyde 

structure
  • CAS No:

    712-97-0

  • Formula:

    C8H5NO5

  • Chemical Name:

    6-Nitro-1,3-benzodioxole-5-carboxaldehyde

  • Synonyms:

    1,3-Benzodioxole-5-carboxaldehyde,6-nitro-;Piperonal,6-nitro-;6-Nitro-1,3-benzodioxole-5-carboxaldehyde;6-Nitropiperonal;o-Nitropiperonal;4,5-(Methylenedioxy)-2-nitrobenzaldehyde;3,4-(Methylenedioxy)-6-nitrobenzaldehyde;6-Nitrobenzo[1,3]dioxole-5-carboxaldehyde;NSC 40550;NSC 66217;6-Nitrobenzo[d][1,3]dioxole-5-carbaldehyde;6-Nitro-2H-1,3-benzodioxole-5-carboxaldehyde

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Yellow Solid

6-Nitro-1,3-benzodioxole-5-carboxaldehyde Basic Attributes

195.13

195.13

384010

211-926-1

66217|40550

DTXSID50221400

2932999099

Characteristics

81.4

1.65920

Yellow Fine Crystalline Powder

1.572 g/cm3

200 °C

365.9ºC at 760 mmHg

195ºC

1.658

Safety Information

NONH for all modes of transport

3

36/37/38

37/39-26-37

DF4912750

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

6-nitropiperonal

6-Nitro-1,3-benzodioxole-5-carboxaldehyde Use and Manufacturing

Methods of Manufacturing

Under cooling, 60ml fuming nitric acid and 40ml glacial acetic acid are mixed into a mixed acid, 25g piperonal is added to the mixed acid in portions below 5°C, and the reaction is stirred for 6h. The reaction liquid was poured into water to precipitate a precipitate. Filter, wash, dry, and recrystallize with ethanol to obtain 24 g of 6-nitropiperonal with a yield of 74%.

Uses

Organic synthesis intermediate.

Computed Properties

Molecular Weight:195.13
XLogP3:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:195.01677226
Monoisotopic Mass:195.01677226
Topological Polar Surface Area:81.4
Heavy Atom Count:14
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Nitric acid

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