Methyl 3-fluoro-4-nitrobenzoate

Basic Information

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CAS Number

185629-31-6

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

Physical State

White to Yellow Solid

Melting Point

53-55 °C

Boiling Point

314.6°C at 760 mmHg

Density

1.388

Flash Point

144.1℃

SMILES

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

InChI

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

InChIKey

FKMZNQQOPCCUTD-UHFFFAOYSA-N

LogP

2.04370

Complexity

240

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

MFCD08444027
Methyl 3-Fluoro-4-nitrobenzenecarboxylate
FT-0648881
methyl 3-fluoro-4-nitrobenzenecarboxylate, AldrichCPR
Benzoic acid, 3-fluoro-4-nitro-, methyl ester
CL4112
185629-31-6
EN300-130933
Methyl3-fluoro-4-nitrobenzenecarboxylate
W-206335
SY007424
AC-7551
AM20061017
Methyl 3-fluoro-4-nitrobenzoate
M04159
DTXSID00343863
SCHEMBL13676425
3-Fluoro-4-nitro-benzoic acid methyl ester
Methyl 3-fluoro-4-nitrobenzoate #
CS-M0953
3-fluoro-4 nitro benzoic acid methylester
3-Fluoro-4-nitrobenzoic acid methyl ester
methyl 3-fluro-4nitrobenzoate
SCHEMBL5934
EA-0714
AKOS005072443
3-fluoro-4-nitrobenzenecarboxylic acid
METHYL 3-FLUORO-4-NITROBENZENECARBOXYLATE
Methyl 3-fluoro-4-nitrobenzoate,Methyl 3-fluoro-4-nitrobenzoate
2-Fluoro-4-(methoxycarbonyl)nitrobenzene
METHYL 3-FLUORO-4-NITROBENZENECARBOXYLAT

MDL Number

MFCD08444027

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6)?

Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6) is a crystalline solid at room temperature with a molecular weight of approximately 228.09 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly towards reducing agents and bases. It exhibits a characteristic melting point and is stable under normal storage conditions.

How is Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6) typically synthesized?

Methyl 3-fluoro-4-nitrobenzoate is typically synthesized via the esterification of 3-fluoro-4-nitrobenzoic acid with methanol in the presence of acetic acid as a catalyst. The reaction is carried out under mild conditions with a yield of around 85%. Other methods include the nitration of 3-fluorobenzoic acid followed by esterification, providing high selectivity and yield.

What industries use Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6)?

Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6) is used in the pharmaceutical industry for the synthesis of certain intermediates and as a reagent in organic synthesis. It is also utilized in the polymer industry for the production of functional polymers and in the sensor industry for the development of chemical sensors. Other applications include use in semiconductors for specific chemical treatments.

What precautions should be taken when handling Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6)?

When handling Methyl 3-fluoro-4-nitrobenzoate (CAS: 185629-31-6), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up promptly using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed emergency procedures and storage recommendations.