Methyl 3-bromo-2-methyl-5-nitrobenzoate

Basic Information

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CAS Number

885519-05-1

Molecular Formula

C9H8BrNO4

Molecular Weight

274.07 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C(C=C(C=C1Br)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3

InChIKey

KHYSOGYKNCNXIS-UHFFFAOYSA-N

Complexity

265

Synonyms & References

English

methyl 3-bromo-2-methyl-5-nitrobenzoate
CS-0077241
885519-05-1
3-Bromo-2-methyl-5-nitromethyl benzoate
F17304
AKOS014882668
EN300-204592
methyl3-bromo-2-methyl-5-nitrobenzoate
DS-2886
SY018991
PB43709
SCHEMBL1335440
DTXSID10619889
MFCD08273772
DB-077921

FAQ

What are the physical and chemical properties of Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1)?

Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1) is a crystalline solid with a molecular weight of approximately 287.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. Chemically, it is known for its reactivity, particularly towards nucleophilic substitution reactions at the bromine atom. It is stable under normal storage conditions but requires care in reactive conditions.

How is Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1) typically synthesized?

Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1) can be synthesized via the nitration of 3-methyl-2-methylbenzoic acid followed by bromination. This process typically involves the use of concentrated nitric acid and sulfuric acid for nitration, and thionyl bromide for bromination. The reaction conditions and catalysts are carefully controlled to achieve high selectivity and yield.

What industries use Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1)?

Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also has applications in the polymer industry for the development of certain types of resins and plastics. Additionally, it can be utilized in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1)?

When handling Methyl 3-bromo-2-methyl-5-nitrobenzoate (CAS: 885519-05-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate spill kits, and the site should be thoroughly rinsed. Always consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed handling and disposal guidelines.