Methyl 2,6-difluoro-3-nitrobenzoate

Basic Information

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CAS Number

84832-01-9

Molecular Formula

C8H5F2NO4

Molecular Weight

217.13 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

59.0 to 63.0 deg-C

Boiling Point

151°C/9mmHg

Density

1.471±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC(=O)c1c(F)ccc([N+](=O)[O-])c1F

InChI

InChI=1S/C8H5F2NO4/c1-15-8(12)6-4(9)2-3-5(7(6)10)11(13)14/h2-3H,1H3

InChIKey

CIHHBTMZOLRCRL-UHFFFAOYSA-N

LogP

2.18280

Complexity

268

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

Synonyms & References

English

Methyl 2,6-difluoro-3-nitrobenzoate
Benzoic acid,2,6-difluoro-3-nitro-, methyl ester
2,6-Difluoro-3-nitrobenzoic Acid Methyl Ester
Benzoic acid, 2,6-difluoro-3-nitro-, methyl ester
CIHHBTMZOLRCRL-UHFFFAOYSA-N
Methyl2,6-difluoro-3-nitrobenzoate
BCP27289
KM2233
CM12685
SY022980
AB0043848
AB1009200
ST24
methyl 2,6-difluoro-3-nitrobenzoate

MDL Number

MFCD07368850

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9)?

Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9) is a crystalline solid with a molecular weight of approximately 237.07 g/mol. It has a low solubility in water but is more soluble in common organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly with reducing agents and bases. It has a pKa of around 2.5, indicating its acidic nature.

How is Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9) typically synthesized?

Methyl 2,6-difluoro-3-nitrobenzoate can be synthesized through the nitration of 2,6-difluorobenzoic acid followed by esterification with methanol. Commonly, this process involves the use of nitric acid and sulfuric acid as the nitrating mixture, with precise temperature control to ensure the desired product is formed with high selectivity and yield. Post-synthesis, the product is typically purified by recrystallization.

What industries use Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9)?

Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the production of certain polymers and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9)?

Proper personal protective equipment (PPE) should always be worn when handling Methyl 2,6-difluoro-3-nitrobenzoate (CAS: 84832-01-9), including gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood. Spills should be handled with great care, and the Material Safety Data Sheet (MSDS) should be consulted for specific spill procedures. Storage should be in a cool, dry place away from heat sources and incompatible materials.