Methyl 2-methyl-5-nitrobenzoate

Basic Information

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CAS Number

77324-87-9

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

67.0 to 71.0 deg-C

Boiling Point

305.4°C at 760 mmHg

Flash Point

141.7℃

SMILES

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

InChI

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

InChIKey

TVGKPVDDCDQBRC-UHFFFAOYSA-N

LogP

2.21300

Complexity

236

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

EN300-83397
DTXSID10402596
methyl2-methyl-5-nitrobenzoate
CS-W019818
A9789
Benzoic acid, 2-methyl-5-nitro-, methyl ester
2-Methyl-5-nitro-benzoic acid methyl ester
methyl 2-methyl-5-nitrobenzoate
AS-11340
J-522047
1-BENZOFURAN-2,3-DICARBOXYLICACID
Methyl 5-Nitro-o-toluate
MFCD00230865
BCP24482
2-Methyl-5-nitrobenzoic Acid Methyl Ester
M2220
SY006877
SCHEMBL1319532
SB38701
AM804350
AKOS009486129
Methyl 5-nitro-2-methylbenzoate
2-Methyl-5-nitro methylbenzoate
methyl 2-methyl-5nitrobenzoate
FT-0647671
TVGKPVDDCDQBRC-UHFFFAOYSA-N
AE-562/43459974
77324-87-9
methyl 3-nitro-6-methylbenzoate
AC-5781
5-Nitro-o-toluic Acid Methyl Ester

MDL Number

MFCD00230865

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 2-methyl-5-nitrobenzoate (CAS: 77324-87-9)?

Methyl 2-methyl-5-nitrobenzoate is a crystalline solid with a molecular weight of approximately 226.16 g/mol. It has a melting point of 66-68°C and a boiling point of 308-310°C. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is a reactive compound, particularly towards nucleophiles in substitution reactions.

How is Methyl 2-methyl-5-nitrobenzoate (CAS: 77324-87-9) typically synthesized?

Methyl 2-methyl-5-nitrobenzoate is typically synthesized via nitration of 2-methylbenzoic acid. The process involves the reaction of 2-methylbenzoic acid with nitric acid (HNO3) in the presence of sulfuric acid (H2SO4) as a catalyst. The nitration yields the desired product with good selectivity and moderate to high yield depending on the reaction conditions.

What industries use Methyl 2-methyl-5-nitrobenzoate (CAS: 77324-87-9)?

Methyl 2-methyl-5-nitrobenzoate finds application in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also used in the production of dyes and pigments, and as a component in some polymer formulations. Additionally, it is utilized in the development of organic sensors and semiconductors.

What precautions should be taken when handling Methyl 2-methyl-5-nitrobenzoate (CAS: 77324-87-9)?

When handling Methyl 2-methyl-5-nitrobenzoate, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled by neutralizing the compound with a suitable reagent before cleanup. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines and emergency procedures.