2,6-Difluoro-3-nitrobenzoic acid

Basic Information

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CAS Number

83141-10-0

Molecular Formula

C7H3F2NO4

Molecular Weight

203.1 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

Basic Physical Properties

Melting Point

101.0 to 105.0 deg-C

Boiling Point

335.5°C at 760 mmHg

Density

1.661

Flash Point

156.7℃

SMILES

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

InChI

InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)

InChIKey

PDDHSNODMFIIRV-UHFFFAOYSA-N

LogP

2.09440

Complexity

255

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

2,6-Difluoro-3-nitrobenzoic acid
Benzoic acid,2,6-difluoro-3-nitro-
Benzoic acid, 2,6-difluoro-3-nitro-
2,6-difluro-3-nitrobenzoic acid
2,6-DIFLUORO-3-NITROBENZOICACID
NSC190311
PubChem4946
KSC495S7F
PDDHSNODMFIIRV-UHFFFAOYSA-N
3-Nitro-2,6-difluorobenzoic acid
BCP26713
2,6-difluoro-3-nitro-benzoic acid
2,6-difluoro-3-nitro benzoic acid
STK504033
AS04434
TRA0003722
PI01001
AB

MDL Number

MFCD00119291

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2,6-Difluoro-3-nitrobenzoic acid (CAS: 83141-10-0)?

2,6-Difluoro-3-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 217.05 g/mol. It has a low solubility in water (0.2 g/L at 25°C) but is more soluble in organic solvents like methanol and ethanol. The compound is known for its high reactivity, particularly with reducing agents, and shows moderate acidity due to the carboxylic acid group.

How is 2,6-Difluoro-3-nitrobenzoic acid (CAS: 83141-10-0) typically synthesized?

2,6-Difluoro-3-nitrobenzoic acid is commonly synthesized by the nitration of 2,6-difluorobenzoic acid. This involves reacting the starting material with a mixture of nitric and sulfuric acids. The process yields a mixture that requires recrystallization to obtain pure 2,6-difluoro-3-nitrobenzoic acid, with good selectivity and a yield typically around 70-80%.

What industries use 2,6-Difluoro-3-nitrobenzoic acid (CAS: 83141-10-0)?

2,6-Difluoro-3-nitrobenzoic acid finds applications in the pharmaceutical industry for the synthesis of certain drugs due to its functional groups. It is also used in the polymer industry as a precursor for the synthesis of various polymers. Additionally, it is employed in the production of sensors and semiconductors for its specific reactivity and functionality.

What precautions should be taken when handling 2,6-Difluoro-3-nitrobenzoic acid (CAS: 83141-10-0)?

When handling 2,6-Difluoro-3-nitrobenzoic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and chemical-resistant lab coats. Work should be carried out in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials, following proper disposal procedures as outlined in the Safety Data Sheet (SDS).