Methyl 3-nitrobenzoate

Basic Information

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CAS Number

618-95-1

Molecular Formula

C8H7NO4

Molecular Weight

181.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

76.0 to 80.0 deg-C

Boiling Point

279 °C

Density

1.4283 (rough estimate)

Flash Point

279°C

Refractive Index

1.5468 (estimate)

SMILES

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COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3

InChIKey

AXLYJLKKPUICKV-UHFFFAOYSA-N

LogP

1.90460

Complexity

211

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

CS-17374
Methyl-m-nitrobenzoate
3-O2N-C6H4-COOCH3
DTXSID5060691
NS00034836
EINECS 210-573-0
m-Nitrobenzoic acid, methyl ester
Methyl m-nitrobenzoate
AKOS000313778
SCHEMBL1572442
EN300-15480
MFCD00007250
UNII-UWP97MS7EU
methyl 3-nitro-benzoate
NSC 1327
Benzoic acid, 3-nitro-, methyl ester
Z19668576
Methyl meta-nitrobenzoate
Q4291746
3-Nitrobenzoic Acid Methyl Ester
3-nitro-benzoic acid methyl ester
CS-W017167
A833473
UWP97MS7EU
AI3-08853
3-NITRO-BENZOICACIMETHYLESTER
1-[2-(AMMONIOOXY)ETHOXY]BENZENECHLORIDE
NSC1327
AG-205/32711022
N0157
J-512970

MDL Number

MFCD00007250

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 3-nitrobenzoate (CAS: 618-95-1)?

Methyl 3-nitrobenzoate (CAS: 618-95-1) is regulated under various guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA regulations in the United States. It is classified as a hazardous substance due to its potential health and environmental impacts. Companies must comply with these regulations for transportation, storage, and disposal to ensure safety and environmental protection.

Are there alternatives to Methyl 3-nitrobenzoate (CAS: 618-95-1) in synthesis?

There are several alternatives to Methyl 3-nitrobenzoate (CAS: 618-95-1) in synthesis, such as other nitrobenzoic acids or their esters with different alkyl groups. Common alternatives include Methyl 2-nitrobenzoate and Ethyl 3-nitrobenzoate. These alternatives can offer similar reactivity but with different physical properties and safety profiles, making them suitable for various applications.

What is the market or research trend for Methyl 3-nitrobenzoate (CAS: 618-95-1)?

The market for Methyl 3-nitrobenzoate (CAS: 618-95-1) is driven by its use in pharmaceuticals, dyes, and pesticides. Recent research trends focus on its applications in drug discovery and development, particularly in the synthesis of intermediates for antiviral and anticancer drugs. The market is expected to grow with increasing demand in these sectors, although stringent regulations may pose challenges for its use.

How should waste containing Methyl 3-nitrobenzoate (CAS: 618-95-1) be handled?

Waste containing Methyl 3-nitrobenzoate (CAS: 618-95-1) should be collected in appropriate containers and stored separately to prevent environmental contamination. Proper waste disposal involves incineration at a licensed facility or professional chemical waste management services. Precautions include ensuring proper ventilation and wearing personal protective equipment (PPE) to avoid exposure to the hazardous substance. Compliance with local and international regulations is crucial for safe waste management.