4-methyl-3,5-dinitrobenzoic acid

Basic Information

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CAS Number

16533-71-4

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

158.0 to 162.0 deg-C

Boiling Point

396.3℃ at 760 mmHg

Flash Point

176.1℃

Solubility

methanol: soluble250mg/10 mL, clear, faintly yellow to yellow

SMILES

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

InChI

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

InChIKey

LZWWZQXBKVZKIP-UHFFFAOYSA-N

LogP

2.55600

Complexity

296

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

Sensitiveness

对热敏感

Synonyms & References

English

3,5-Dinitro-4-Methyl Benzoic Acid
4-Methyl-3,5-dinitrobenzoicacid
EN300-20721
4-Methyl-3,5-dinitrobenzoic acid
3,5-Dinitro-p-toluic acid
DTXSID10167931
p-Toluic acid,5-dinitro-
AKOS040744584
AC-28566
Benzoic acid, 4-methyl-3,5-dinitro-
NSC 5589
MFCD00007175
AS-14518
AI3-14622
Oprea1_642861
4-Methyl-3,5-dinitrobenzoic acid, 98%
W-107935
BB 0256450
AKOS000114109
UNII-HPM5AZ39WE
NS00025410
AN-970/40920438
SCHEMBL503451
EINECS 240-603-8
NSC-5589
NSC5589
D3291
Z104480226
UPCMLD0ENAT5885946:001
HPM5AZ39WE
FT-0637374

MDL Number

MFCD00007175

FAQ

What is 4-methyl-3,5-dinitrobenzoic acid (CAS: 16533-71-4)?

4-Methyl-3,5-dinitrobenzoic acid is an organic compound with the molecular formula C8H5N2O6. It is characterized by its high reactivity and strong acidity. This compound has a melting point of 196-198°C and is commonly used in the synthesis of dyes, pharmaceuticals, and other chemical intermediates.

What are the main uses of 4-methyl-3,5-dinitrobenzoic acid (CAS: 16533-71-4)?

4-Methyl-3,5-dinitrobenzoic acid is widely used in the production of dyes, pharmaceuticals, and as a chemical intermediate. It also finds applications in research for the synthesis of various organic compounds and in the preparation of analytical reagents. Its use in the pharmaceutical industry is notable for preparing active pharmaceutical ingredients.

Is 4-methyl-3,5-dinitrobenzoic acid (CAS: 16533-71-4) safe?

4-Methyl-3,5-dinitrobenzoic acid is generally safe when handled with proper precautions. However, it is important to use personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from heat and ignition sources. Avoid contact with eyes, skin, and clothing. Seek medical advice if exposure occurs.

How should 4-methyl-3,5-dinitrobenzoic acid (CAS: 16533-71-4) be stored?

4-Methyl-3,5-dinitrobenzoic acid should be stored in a cool, dry place away from heat, sparks, and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. Avoid exposure to strong light and store in a well-ventilated area. The storage area should have proper fire protection measures in place due to the compound's reactivity and potential for explosion if improperly stored.