5-Nitro-1,3-benzodioxole

Basic Information

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CAS Number

2620-44-2

Molecular Formula

C7H5NO4

Molecular Weight

167.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

146.0 to 150.0 deg-C

Boiling Point

295.67°C (rough estimate)

Solubility

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

Refractive Index

1.6280 (estimate)

SMILES

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C1OC2=C(O1)C=C(C=C2)[N+](=O)[O-]

InChI

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

InChIKey

SNWQAKNKGGOVMO-UHFFFAOYSA-N

LogP

1.84670

Complexity

190

Safety Information

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Hazard Statement

Synonyms & References

English

UNII-8934AS6CY6
EINECS 220-055-6
NSC5562
3,4methylenedioxynitrobenzene
DTXSID5062558
Benzene, 1,2-(methylenedioxy)-4-nitro-
Benzene,2-(methylenedioxy)-4-nitro-
5-nitro-2H-1,3-benzodioxole
2620-44-2
4,5-methylenedioxy-1-nitrobenzene
1-nitro-3,4-methylenedioxybenzene
CS-0059218
BDBM50023678
PS-4024
AKOS002846253
1,2-(Methylenedioxy)-4-nitrobenzene, 98%
MFCD00005824
M0848
5-Nitro-1,3-benzodioxole
Methylenedioxynitrobenzene
3,4-(Methylenedioxy)-1-nitrobenzene
W-107190
NSC-5562
FT-0606468
NSC 5562
1,3-Benzodioxole, 5-nitro-
D73178
SCHEMBL141303
4,5-Methylenedioxynitrobenzene
NS00028047
AKOS015889598

MDL Number

MFCD00005824

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Nitro-1,3-benzodioxole (CAS: 2620-44-2)?

5-Nitro-1,3-benzodioxole (CAS: 2620-44-2) is a white crystalline solid with a molecular weight of approximately 194.08 g/mol. It has low water solubility but is soluble in organic solvents such as ethanol and acetone. This compound is known for its high reactivity, especially towards nucleophilic substitution reactions.

How is 5-Nitro-1,3-benzodioxole (CAS: 2620-44-2) typically synthesized?

5-Nitro-1,3-benzodioxole is typically synthesized via nitration of 1,3-benzodioxole. The process involves treating 1,3-benzodioxole with a nitric acid/sulfuric acid mixture at low temperature. The reaction is typically carried out in a fume hood to minimize exposure and ensure safety. The yield and selectivity can be improved by careful control of reaction conditions.

What industries use 5-Nitro-1,3-benzodioxole (CAS: 2620-44-2)?

5-Nitro-1,3-benzodioxole finds applications in the pharmaceutical industry for the synthesis of certain drugs due to its structural features. It is also used in the production of dyes and pigments, as well as in the development of sensors and semiconductors. Its ability to form stable nitro groups makes it particularly useful in these applications.

What precautions should be taken when handling 5-Nitro-1,3-benzodioxole (CAS: 2620-44-2)?

When handling 5-Nitro-1,3-benzodioxole (CAS: 2620-44-2), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from heat sources and oxidizers. In the event of a spill, it is important to clean it up immediately using appropriate chemical spill control measures and consult the safety data sheet (SDS) for detailed instructions.