3-Methoxy-4-nitrobenzoic acid

Basic Information

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CAS Number

5081-36-7

Molecular Formula

C8H7NO5

Molecular Weight

197.14 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

233.0 to 237.0 deg-C

Boiling Point

404.9°C at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

198.7℃

Refractive Index

1.5700 (estimate)

SMILES

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COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

PWURRRRGLCVBMX-UHFFFAOYSA-N

LogP

1.82480

Complexity

236

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

GEO-01715
3-methoxy-4-nitro-benzoic acid
A20390
NSC-148471
4-Nitro-m-anisic Acid
AM20050238
SCHEMBL223878
AKOS005254727
Benzoic acid, 3-methoxy-4-nitro-
4-Nitro-3-methoxybenzoic acid
3-Methoxy-4-nitrobenzoicAcid
3-(methyloxy)-4-nitrobenzoic acid
M2083
3-methoxy4-nitro-benzoic acid
NSC148471
AC-22303
3-Methoxy-4-nitrobenzoic acid, 98%
W-105929
DTXSID50198840
MFCD00007353
EN300-62791
QG2KLY3KYW
CS-W007961
NS00032153
Z118458740
F0001-1329
5081-36-7
EINECS 225-793-2
BCP06468
GS-6828
4-Nitro-3-methoxybenzoic acid;4-Nitro-m-anisic acid

MDL Number

MFCD00007353

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7)?

3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7) falls under the GHS classification system as a skin and eye irritant. It is also subject to regulatory requirements under REACH in the EU, which includes registration, evaluation, authorization, and restriction of chemicals. In the United States, FDA and EPA regulations may apply for its use in pharmaceuticals and environmental protection respectively. Users should consult the Material Safety Data Sheet (MSDS) for detailed information on handling and storage requirements.

Are there alternatives to 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7) in synthesis?

There are several alternatives to 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7) in synthesis, such as 3-Nitrobenzoic acid or 4-Methoxy-3-nitrobenzoic acid. These compounds can serve similar purposes depending on the specific reaction conditions and requirements. Additionally, researchers may explore other nitrobenzoic derivatives that can offer similar functionality with different substituents.

What is the market or research trend for 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7)?

The market for 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7) is stable, with increasing demand in the pharmaceutical industry due to its use as an intermediate in drug synthesis. Research trends are focusing on its application in the development of pharmaceuticals, particularly in the synthesis of antifungal and anticancer drugs. Additionally, there is growing interest in its use in environmental chemistry for the synthesis of new materials with enhanced catalytic properties.

How should waste containing 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7) be handled?

Waste containing 3-Methoxy-4-nitrobenzoic acid (CAS: 5081-36-7) should be collected in appropriate containers and stored in a cool, well-ventilated area away from sources of ignition. It is advisable to dispose of such waste through professional waste disposal services that comply with local and international regulations. Environmental protection precautions should include proper containment to prevent spills and accidental releases. Incineration or other professional waste treatment methods should be used to ensure safe disposal.