Methyl 3-methyl-2-nitrobenzoate

Basic Information

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CAS Number

5471-82-9

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

72.0 to 76.0 deg-C

Boiling Point

286.3℃ at 760 mmHg

Density

1.255

Flash Point

128.4℃

Refractive Index

1.548

SMILES

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

InChI

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

InChIKey

NJHDBIXFFZVJGZ-UHFFFAOYSA-N

LogP

2.21300

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

methyl 2-nitro-3-methylbenzoate
A7956
11X-0063
NSC28461
CS-M3738
BCP27599
methyl 3-methyl-2-nitrobenzenecarboxylate
AM20060986
2-Nitro-3-methylbenzoic acid, methyl ester
5471-82-9
2-NITRO-3-METHYLBENZOIC ACID METHYL ESTER
J-522197
UNII-67XCE2UHV8
SY017255
DTXSID6063933
M2213
3-Methyl-2-nitrobenzoic Acid Methyl Ester
MFCD01003947
AC-5779
FT-0651556
2-methyl-6-methoxycarbonyl-nitrobenzene
methyl3-methyl-2-nitrobenzoate
NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Benzoic acid, 3-methyl-2-nitro-, methyl ester
NSC-28461
Methyl 3-Methyl-2-nitro benzoate
NSC 28461
Methyl 3-methyl-2-nitrobenzoate
SCHEMBL1032670
67XCE2UHV8
AKOS005069627

MDL Number

MFCD01003947

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9)?

Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9) is a crystalline compound with a molecular weight of approximately 218.14 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound is relatively stable under normal conditions but can undergo nitro reduction under acidic conditions. It is used in various applications due to its reactivity and stability.

How is Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9) typically synthesized?

Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9) can be synthesized by the nitration of 3-methylbenzoic acid. The reaction typically involves the nitration of 3-methylbenzoic acid in the presence of a nitrating mixture, such as a mixture of concentrated nitric acid and concentrated sulfuric acid. The reaction is carried out under controlled conditions to achieve high selectivity and yield.

What industries use Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9)?

Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9) is used in various industries due to its chemical reactivity and stability. It is primarily used in the pharmaceutical industry for the synthesis of certain drugs. Additionally, it can be used in the production of dyes, pigments, and other organic compounds. The compound also has applications in the polymer industry for its use as a monomer or intermediate.

What precautions should be taken when handling Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9)?

When handling Methyl 3-methyl-2-nitrobenzoate (CAS: 5471-82-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up according to the manufacturer’s safety data sheet (SDS) and local guidelines. Always follow the recommended storage conditions and disposal procedures to ensure safety.