3-Fluoro-4-nitrobenzoic acid

Basic Information

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CAS Number

403-21-4

Molecular Formula

C7H4FNO4

Molecular Weight

185.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

173.0 to 177.0 deg-C

Boiling Point

372.8℃ at 760 mmHg

Density

1.5680

Flash Point

179.3℃

SMILES

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C1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-]

InChI

InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)

InChIKey

WVZBIQSKLXJFNX-UHFFFAOYSA-N

LogP

1.95530

Complexity

227

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-fluoro 4-nitro benzoic acid
SCHEMBL6238
403-21-4
453-21-4
CS-D1499
FT-0651754
3-Fluoro-4-nitrobenzoic acid, AldrichCPR
BP-13090
MFCD01862092
3-Fluoro-4-nitrobenzoic acid
FT-0650464
AC-2917
AM20040413
SY003335
4-Nitro-3-fluoro benzoic acid
WVZBIQSKLXJFNX-UHFFFAOYSA-N
3-Fluor-4-nitro-benzoesaure
AKOS005069496
CL4111
3-fluoro-4-nitrobenzenecarboxylic acid
J-512503
Benzoic acid, 3-fluoro-4-nitro-
Z995046708
A6749
3-FLUORO-4-NITROBENZENECARBOXYLICACID
DTXSID60960737
NSC25749
3-fluoro-4-nitrobenzene carboxylic acid
F0670
3-fluoro-4-nitroberizoic acid
EN300-64892

MDL Number

MFCD01862092

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 3-Fluoro-4-nitrobenzoic acid (CAS: 403-21-4)?

3-Fluoro-4-nitrobenzoic acid is a white crystalline solid with a molecular weight of 219.06 g/mol. It has a melting point of 225-227°C and is only slightly soluble in water. This compound is reactive towards bases and can undergo esterification and nitration reactions. It is commonly used in organic synthesis as a functional group derivative.

How is 3-Fluoro-4-nitrobenzoic acid (CAS: 403-21-4) typically synthesized?

3-Fluoro-4-nitrobenzoic acid can be synthesized by nitration of 3-fluorobenzoic acid followed by esterification. Commonly, 3-fluorobenzoic acid is mixed with nitric acid and sulfuric acid in an appropriate solvent for the nitration process. The product is then converted to the acid form by hydrolysis. This compound can also be prepared via other routes involving aromatic substitution reactions.

What industries use 3-Fluoro-4-nitrobenzoic acid (CAS: 403-21-4)?

3-Fluoro-4-nitrobenzoic acid (CAS: 403-21-4) is used in various industries including pharmaceuticals, where it serves as a precursor for drug synthesis; in the production of dyes and pigments; in the development of sensors and detectors; and in the synthesis of materials for electronic and photonic applications.

What precautions should be taken when handling 3-Fluoro-4-nitrobenzoic acid (CAS: 403-21-4)?

When handling 3-Fluoro-4-nitrobenzoic acid, proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. It should be stored in a cool, dry place away from direct sunlight and incompatible materials. Spills should be handled with appropriate absorbent material and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.