1-Methoxy-2,3-dimethyl-4-nitrobenzene

Basic Information

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CAS Number

81029-03-0

Molecular Formula

C9H11NO3

Molecular Weight

181.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

72.0 to 75.0 deg-C

Boiling Point

314.29°C (rough estimate)

Density

1.2375 (rough estimate)

Flash Point

141.2 °C

Refractive Index

1.5270 (estimate)

SMILES

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CC1=C(C=CC(=C1C)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3

InChIKey

DUBFMQLUMHKYOX-UHFFFAOYSA-N

LogP

2.74340

Complexity

190

Safety Information

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Hazard Statement

Synonyms & References

English

NS00038104
4-methoxy-2,3-dimethyl-1-nitrobenzene
SY106171
AKOS015851690
1-METHOXY-2,3-DIMETHYL-4-NITRO-BENZENE
EINECS 279-674-5
81029-03-0
UNII-GPU9ZBM6V5
2,3-Dimethyl-4-nitroanisole
4-Methoxy-2,3-dimethylnitrobenzene
1-Methoxy-2,3-dimethyl-4-nitrobenzene #
CS-W017160
AS-63160
D2409
Benzene, 1-methoxy-2,3-dimethyl-4-nitro-
GPU9ZBM6V5
FT-0641804
SCHEMBL4466194
2,3-Dimethyl-p-nitroanisole
A19866
MFCD00007163
AC-3794
2,3-Dimethyl-4-nitroanisole, 95%
3-Methoxy-6-nitro-o-xylene
BP-10023
DTXSID00230865
AM62106
1-Methoxy-2,3-dimethyl-4-nitrobenzene
3-Methoxy-6-ni
DUBFMQLUMHKYOX-UHFFFAOYSA-N
PubChem13217

MDL Number

MFCD00007163

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Methoxy-2,3-dimethyl-4-nitrobenzene (CAS: 81029-03-0)?

1-Methoxy-2,3-dimethyl-4-nitrobenzene is a yellow crystalline solid. Its molecular weight is approximately 218.15 g/mol. This compound is soluble in organic solvents like methanol and ethanol but less so in water. It is moderately reactive, particularly towards nucleophilic substitution reactions. The compound is known for its stability under normal conditions but should be stored in a cool, dark place to prevent decomposition.

How is 1-Methoxy-2,3-dimethyl-4-nitrobenzene (CAS: 81029-03-0) typically synthesized?

1-Methoxy-2,3-dimethyl-4-nitrobenzene can be synthesized through a series of reactions starting with 1,3-dimethylbenzene. It involves nitration to form the nitro derivative, followed by methylation to introduce the methoxy group. Commonly, sulfuric acid is used as a catalyst in the nitration step, and the reaction is carried out in a water bath to control the temperature. The overall yield of the synthesis is around 75-80%.

What industries use 1-Methoxy-2,3-dimethyl-4-nitrobenzene (CAS: 81029-03-0)?

1-Methoxy-2,3-dimethyl-4-nitrobenzene is used in various industries. It is a key intermediate in the pharmaceutical industry for the synthesis of certain medications. In the polymer industry, it serves as a component in the production of specific types of plastics. Additionally, it is utilized in the sensing technology for detecting specific chemical species and in semiconductor manufacturing for certain dopant applications.

What precautions should be taken when handling 1-Methoxy-2,3-dimethyl-4-nitrobenzene (CAS: 81029-03-0)?

When handling 1-Methoxy-2,3-dimethyl-4-nitrobenzene, ensure to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of fumes. Store the compound in a cool, dry place away from direct sunlight and heat sources. If a spill occurs, use appropriate spill cleanup procedures, and consult the Material Safety Data Sheet (MSDS) for specific instructions. The compound is moderately toxic and may cause skin irritation or respiratory issues if not handled properly.