Methyl 5-fluoro-2-nitrobenzoate

Basic Information

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CAS Number

393-85-1

Molecular Formula

C8H6FNO4

Molecular Weight

199.14 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

40-42°C

Boiling Point

282 ºC

Water Solubility

Slightly soluble in water. Soluble in dimethyl sulfoxide and acetone.

Flash Point

124 ºC

SMILES

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

InChI

InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3

InChIKey

LCAUVFVOLNRVKG-UHFFFAOYSA-N

LogP

2.04370

Complexity

240

Safety Information

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Hazard Statement

Synonyms & References

English

Methyl 5-fluoro-2-nitrobenzoate
FT-0672787
NS00006355
2-Nitro-5-fluorobenzoic Acid,Methyl Ester
Z600398360
A824534
MFCD03425619
2-nitro-5-fluorobenzoic acid, methyl ester
AKOS010096849
AMY28074
SCHEMBL137523
DTXSID60408886
5-fluoro-2-nitro-benzoic acid methyl ester
LCAUVFVOLNRVKG-UHFFFAOYSA-N
CS-W010511
EN300-70464
DS-14514
2-Nitro-5-fluorobenzoic acid methyl ester
Benzoic acid, 5-fluoro-2-nitro-, methyl ester
METHYL5-FLUORO-2-NITROBENZOATE
393-85-1
5-fluoro-2-nitrobenzoic acid methyl ester
SY011925
methyl 5fluoro-2-nitrobenzoate
EC 609-664-1
2-Nitro-5-fluorobenzoic Acid, Methyl Ester
2-Nitro-5-fluorobenz
Benzoic acid,5-fluoro-2-nitro-, methyl ester
3-Methoxycarbonyl-4-nitrofluorobenzene
5-Fluoro-2-nitro-benzoic acid methyl ester
WT240

MDL Number

MFCD03425619

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1)?

Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1) is classified according to the GHS system as a skin irritant and may require specific handling procedures. In the EU, it is regulated under REACH, requiring manufacturers to provide Material Safety Data Sheets (MSDS) and register substances above 1 tonne per year. The FDA may also have specific guidelines for use in pharmaceuticals, and the EPA regulates its disposal to ensure environmental safety.

Are there alternatives to Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1) in synthesis?

Alternative reagents to Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1) include methyl 2-nitrobenzoate and methyl 5-nitro-2-fluorobenzoate. These analogs can be used in similar synthesis pathways but may require different reaction conditions or solvents. Isomers such as the enantiomers can also be considered, though their availability and cost may vary.

What is the market or research trend for Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1)?

Research on Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1) is primarily focused on its use as a precursor in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Market trends reflect an increasing demand for novel intermediates in these industries. Recent studies have explored its application in bioconjugation and medicinal chemistry, indicating a growing interest in its chemical properties and reactivity.

How should waste containing Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1) be handled?

Waste containing Methyl 5-fluoro-2-nitrobenzoate (CAS: 393-85-1) should be collected in appropriate containers, ensuring proper labeling. It is advisable to consult a professional waste disposal service for safe incineration or disposal. Environmental precautions include minimizing exposure to waterways and ensuring that waste is treated according to local environmental regulations to avoid pollution.