ChemicalBook--->CAS DataBase List--->2620-44-2

2620-44-2

2620-44-2 Structure

2620-44-2 Structure
IdentificationMore
[Name]

1,2-(Methylenedioxy)-4-nitrobenzene
[CAS]

2620-44-2
[Synonyms]

1,2-(METHYLENEDIOXY)-4-NITROBENZENE
3,4-METHYLENEDIOXYNITROBENZENE
5-NITRO-1,3-BENZODIOXOLE
3,4-(Methylenedioxy)-1-nitrobenzene
5-nitro-3-benzodioxole
5-Nitrobenzodioxole
Benzene, 1,2-(methylenedioxy)-4-nitro-
Methylenedioxynitrobenzene
5-Nitro-1,3-benzodioxole~4-Nitro-1,2-(methylenedioxy)benzene
Nitro-1,2-Methylene Dioxybenzene
4-Nitrobenzodioxole
forOxolinicacid
4-nitro-1,2-(methylenedioxy)benzene
3,4-(METHYLENEDIOXY)-4-NITROBENZENE
3,4-Methylenedioxynitrobenzene 98%
NITROBENZODIOXOLE
1,2-Methylenedioxy-4-nitrobenzene, 98+%
1,3-Benzodioxole, 5-nitro-
3,4-Methylenebisoxy-1-nitrobenzene
[EINECS(EC#)]

220-055-6
[Molecular Formula]

C7H5NO4
[MDL Number]

MFCD00005824
[Molecular Weight]

167.12
[MOL File]

2620-44-2.mol
Chemical PropertiesBack Directory
[Appearance]

yellow fine crystalline powder
[Melting point ]

146-148 °C (lit.)
[Boiling point ]

295.67°C (rough estimate)
[density ]

1.5216 (rough estimate)
[refractive index ]

1.6280 (estimate)
[Fp ]

289 °F
[storage temp. ]

Store at room temperature
[solubility ]

acetone: soluble2.5%, clear to slightly hazy, yellow
[form ]

powder to crystal
[color ]

Light yellow to Yellow to Orange
[BRN ]

169063
[InChI]

1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
[InChIKey]

SNWQAKNKGGOVMO-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1ccc2OCOc2c1
[CAS DataBase Reference]

2620-44-2(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Benzodioxole, 5-nitro-(2620-44-2)
[EPA Substance Registry System]

2620-44-2(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

Synthetic Route of 1,2-Methylenedioxy-4-nitrobenzene

In air, benzo[d][1,3]dioxane 1a (0.5 mmol, 61 mg), I2O5 (2.5 mmol, 835 mg), NaNO2 (2.5 mmol, 173 mg), 2 mL CH3NO2 and 0.1 mL water were added sequentially to a 10 mL sealed pressure-resistant tube. The reaction was carried out at 15 °C with vigorous magnetic stirring for 2 h. The reaction was monitored by TLC.

After the reaction was complete, anhydrous Na₂SO₃ was added to quench the reaction. First, 15 mL of saturated Na₂SO₃ was added to the reaction solution. The aqueous phase was washed with 15 mL of CH₂Cl₂, the organic phases were combined, dried over anhydrous Na₂SO₄, filtered, and the solvent in the filtrate was removed under reduced pressure. Column chromatography (ethyl acetate: petroleum ether = 1:5) was used to separate 70 mg of a pale yellow solid, 1,2-methylenedioxy-4-nitrobenzene, in 84% yield.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Nitric acid-->1,3-Benzodioxole-->6-Nitropiperonal-->Piperonyl aldehyde-->Acetic acid
[Preparation Products]

4-Nitrocatechol-->3,4-(Methylenedioxy)aniline
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow fine crystalline powder
[Uses]

1,2-(Methylenedioxy)-4-nitrobenzene undergoes continuous hydrogenation in supercritical CO2 with poly siloxane-supported noble metal catalyst in small flow reactor.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 28, p. 625, 1991 DOI: 10.1002/jhet.5570280316
Tetrahedron, 64, p. 4999, 2008 DOI: 10.1016/j.tet.2008.03.085
[General Description]

1,2-(Methylenedioxy)-4-nitrobenzene undergoes continuous hydrogenation in supercritical CO2 with poly siloxane-supported noble metal catalyst in small flow reactor.
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2)MS
1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2)1HNMR
1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2)13CNMR
1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2)IR1
1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2)IR2
1,2-(Methylenedioxy)-4-nitrobenzene(2620-44-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,2-(Methylenedioxy)-4-nitrobenzene, 98%(2620-44-2)
[Alfa Aesar]

1,2-Methylenedioxy-4-nitrobenzene, 98+%(2620-44-2)
[Sigma Aldrich]

2620-44-2(sigmaaldrich)
[TCI AMERICA]

3,4-Methylenedioxynitrobenzene,>98.0%(GC)(2620-44-2)
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