Methyl 2,5-difluoro-4-nitrobenzoate

Basic Information

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CAS Number

924868-81-5

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

Boiling Point

318.3°C at 760 mmHg

SMILES

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COC(=O)C1=CC(=C(C=C1F)[N+](=O)[O-])F

InChI

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

InChIKey

XBUVRWIIEREYFL-UHFFFAOYSA-N

Complexity

268

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

Methyl 2,5-difluoro-4-nitrobenzoate
Benzoicacid,2,5-difluoro-4-nitro-,Methylester
Methyl 2,5-difluoro-4-nitrobenzenecarboxylate
Benzoic acid, 2,5-difluoro-4-nitro-, Methyl ester
methyl2,5-Difluoro-4-nitrobenzoate
XBUVRWIIEREYFL-UHFFFAOYSA-N
SBB095362
5629AC
methyl-2,5-difluoro-4-nitrobenzoate
AM62248
ST24047582
2,5-Difluoro-4-nitrobenzoic acid methyl ester
924868-81-5
MFCD08689670
SCHEMBL1560111
DTXSID50594727
SY239387
AA-0713
DB-351805
CS-0105539
2,5-difluoro-4-nitro-benzoic acid methyl ester
J-521898
AKOS005071566
Benzoic acid, 2,5-difluoro-4-nitro-, methyl ester

MDL Number

MFCD08689670

FAQ

What are the physical and chemical properties of Methyl 2,5-difluoro-4-nitrobenzoate (CAS: 924868-81-5)?

Methyl 2,5-difluoro-4-nitrobenzoate is a crystalline compound with a molecular weight of approximately 262.06 g/mol. It has a high solubility in organic solvents like dichloromethane and methanol. The compound is moderately reactive, showing sensitivity to moisture and heat. It exhibits strong absorption in the UV-visible range, which is typical for nitro compounds.

How is Methyl 2,5-difluoro-4-nitrobenzoate (CAS: 924868-81-5) typically synthesized?

Methyl 2,5-difluoro-4-nitrobenzoate is usually synthesized by nitration of 2,5-difluorobenzoic acid using nitric acid in a suitable solvent like acetic anhydride. The reaction is typically conducted under reflux conditions. Catalysts such as concentrated sulfuric acid are used to enhance the selectivity and yield of the desired product.

What industries use Methyl 2,5-difluoro-4-nitrobenzoate (CAS: 924868-81-5)?

Methyl 2,5-difluoro-4-nitrobenzoate is utilized in the pharmaceutical industry for the synthesis of certain intermediates and in the polymer industry for the development of functional monomers. It also finds applications in the production of sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling Methyl 2,5-difluoro-4-nitrobenzoate (CAS: 924868-81-5)?

When handling Methyl 2,5-difluoro-4-nitrobenzoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled with care using appropriate tools, and the incident should be documented. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.