2-Methyl-3,5-dinitrobenzoic acid

Basic Information

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CAS Number

28169-46-2

Molecular Formula

C8H6N2O6

Molecular Weight

226.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

205-207 °C

Boiling Point

367.74°C (rough estimate)

Water Solubility

Soluble in water.

Flash Point

180.2℃

Refractive Index

1.6000 (estimate)

SMILES

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CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

InChIKey

CDVNZMKTJIBBBV-UHFFFAOYSA-N

LogP

2.55600

Complexity

320

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EN300-19811
3,5-Dinitrotoluic acid
AC-2935
FT-0614723
NSC 168527
2-Methyl-3,5-dinitrobenzoic acid
AKOS000120249
3,5-Dinitro-2-methylbenzoic acid
AC7854
3,5-Dinitro-o-toluic acid, 98%
NS00028428
2-methyl-3,5-dinitro-benzoic acid
MFCD00007161
CBDivE_000040
CS-0214836
A819361
VS-08054
3 pound not5-Dinitro-2-methyl-benzoic Acid
o-Toluic acid,5-dinitro-
Q27231494
NSC-168527
SCHEMBL394667
Dinitolmide Impurity B
Benzoic acid, 2-methyl-3,5-dinitro-
Z104475562
UNII-025937BG8P
SY003379
025937BG8P
W-107067
3,5-Dinitro-2-methyl-benzoic Acid
28169-46-2

MDL Number

MFCD00007161

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2)?

2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA guidelines. It is classified as a hazardous chemical due to its reactivity and potential for environmental contamination. Companies must adhere to proper storage, handling, and disposal procedures to prevent accidents and environmental harm.

Are there alternatives to 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2) in synthesis?

Alternatives to 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2) include 2-Nitrobenzoic acid and 3,5-Dinitrobenzoic acid. These compounds can be used as substitutes in specific synthesis processes, offering similar functional groups but with varying reactivity and solubility. It is essential to evaluate the exact requirements and choose the most suitable reagent.

What is the market or research trend for 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2)?

The market for 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2) is driven by its applications in the pharmaceutical and chemical industry. Recent research trends focus on its use in the synthesis of pesticides and intermediates for drug manufacturing. However, due to its hazardous nature, demand is shifting towards more environmentally friendly alternatives. Research is also exploring safer synthetic routes and the development of biodegradable analogs.

How should waste containing 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2) be handled?

Waste containing 2-Methyl-3,5-dinitrobenzoic acid (CAS: 28169-46-2) should be collected in appropriate containers and stored under adequate safety precautions. Incineration is a common method for disposal, but it must be conducted in specialized facilities to prevent air pollution. Alternatively, professional waste disposal services can handle the waste safely. Always follow local regulations and ensure environmental protection measures are in place to mitigate potential risks and comply with environmental law.