6-Nitro-1,3-benzodioxole-5-carboxaldehyde
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6-Nitro-1,3-benzodioxole-5-carboxaldehyde
structure -
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CAS No:
712-97-0
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Formula:
C8H5NO5
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Chemical Name:
6-Nitro-1,3-benzodioxole-5-carboxaldehyde
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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
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CAS No:
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.
6-Nitro-1,3-benzodioxole-5-carboxaldehyde Use and 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%.
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
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6-Nitro-1,3-benzodioxole-5-carboxaldehyde
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