Methyl 3-methyl-4-nitrobenzoate

Basic Information

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CAS Number

24078-21-5

Molecular Formula

C9H9NO4

Molecular Weight

195.17 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

79.0 to 83.0 deg-C

Boiling Point

318.5°C at 760 mmHg

Density

1.255 g/cm3

Flash Point

150.6℃

Refractive Index

1.548

SMILES

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

InChI

InChI=1S/C9H9NO4/c1-6-5-7(9(11)14-2)3-4-8(6)10(12)13/h3-5H,1-2H3

InChIKey

IEFONJKJLZFGKQ-UHFFFAOYSA-N

LogP

2.21300

Complexity

236

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

FT-0628571
DTXSID60946915
Benzoic acid, 3-methyl-4-nitro-, methyl ester
PHOSPHONICACID, P-[[(ISOCYANATOSULFONYL)AMINO]CARBONYL]-, DIMETHYL ESTER
Methyl 3-methyl-4-nitrobenzenecarboxylate
Methyl 3-methyl-4-nitrobenzoate #
AKOS003382085
NSC-92763
METHYL 4-NITRO-3-METHYLBENZOATE
W-206871
24078-21-5
SCHEMBL1890677
CS-M0758
Methyl 3-methyl-4-nitrobenzoate
SY006108
24078-71-5
NSC92763
Benzoic acid, 3-methyl-4-nitro-methyl ester
11X-0801
4-Nitro-m-toluic Acid Methyl Ester
Phosphonicacid,p-[[(isocyanatosulfonyl)amino]carbonyl]-,dimethyl ester
EN300-99328
MFCD00085640
3-methyl-4-nitro-benzoic acid methyl ester
AC-5780
AM20061238
Methyl 4-Nitro-m-toluate
3-methyl4-nitro-benzoic acid methyl ester
FT-0680041
Methyl 3-Methyl-4-Nitro Benzoate
PB47516

MDL Number

MFCD00085640

FAQ

What are the physical and chemical properties of Methyl 3-methyl-4-nitrobenzoate (CAS: 24078-21-5)?

Methyl 3-methyl-4-nitrobenzoate is a crystalline solid with a molecular weight of approximately 210.14 g/mol. It has a pKa of about 4.9 and is slightly soluble in water. The compound is stable under normal conditions but is reactive towards basic conditions and reducing agents.

How is Methyl 3-methyl-4-nitrobenzoate (CAS: 24078-21-5) typically synthesized?

Methyl 3-methyl-4-nitrobenzoate is typically synthesized by the nitration of 3-methylbenzoic acid followed by esterification with methyl alcohol. This process requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use Methyl 3-methyl-4-nitrobenzoate (CAS: 24078-21-5)?

Methyl 3-methyl-4-nitrobenzoate is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs and in the polymer industry for the production of specific polymers. It is also utilized in the production of sensors and in the semiconductor industry for various applications.

What precautions should be taken when handling Methyl 3-methyl-4-nitrobenzoate (CAS: 24078-21-5)?

Handling Methyl 3-methyl-4-nitrobenzoate requires the use of personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight. Proper ventilation and a fume hood should be used during handling to prevent inhalation. In case of spill, neutralize with an appropriate agent and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.