2,5-Difluorobenzoic acid

Basic Information

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CAS Number

2991-28-8

Molecular Formula

C7H4F2O2

Molecular Weight

158.1 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

130.0 to 132.0 deg-C

Boiling Point

244.7℃/760mmHg

Water Solubility

Insoluble in water.

Flash Point

101.8℃

Solubility

acetone: soluble25mg/mL, clear, faintly yellow

SMILES

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C1=CC(=C(C=C1F)C(=O)O)F

InChI

InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChIKey

LBQMIAVIGLLBGW-UHFFFAOYSA-N

LogP

1.663

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

161

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

2,5-Difluorobenzoic acid, 98%
NSC 190310
LBQMIAVIGLLBGW-UHFFFAOYSA-
NSC-190310
GF8ZKM9RKS
2,5-difluoro-benzoic acid
MFCD00002410
FT-0610351
Benzoic acid, 2,5-difluoro-
SY009582
AKOS000122998
NS00020628
W-106966
NSC190310
CS-W020593
2,5-Difluorobenzoic acid
EN300-18709
BCP24598
Z89265799
SCHEMBL115334
DTXSID30184024
BS-3868
A5533
EINECS 221-060-6
2991-28-8
D1699
InChI=1/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
AM20040130
AC-3949
2,3- Dichloro benzoic acid
RARECHEM AL BO 0019

MDL Number

MFCD00002410

Customs Code

2916399090

FAQ

What is 2,5-Difluorobenzoic acid (CAS: 2991-28-8)?

2,5-Difluorobenzoic acid (CAS: 2991-28-8) is an organic compound with the chemical formula C7H4F2O2. It is a derivative of benzoic acid, featuring two fluorine atoms at the 2 and 5 positions on the benzene ring. This compound is known for its aromatic structure and acidic properties, making it useful in various chemical applications. It appears as a white crystalline solid and is commonly used in research and industrial settings.

What are the main uses of 2,5-Difluorobenzoic acid (CAS: 2991-28-8)?

2,5-Difluorobenzoic acid (CAS: 2991-28-8) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals, dyes, and materials with specific functional properties. Due to its reactivity and stability, it is employed in organic chemistry for various derivatization processes and is relevant in fields such as medicinal chemistry and chemical synthesis.

Is 2,5-Difluorobenzoic acid (CAS: 2991-28-8) safe?

2,5-Difluorobenzoic acid (CAS: 2991-28-8) is generally considered safe when handled properly, but it should be treated with caution. It may cause skin and eye irritation, and inhalation of its vapors can be harmful. Safety data sheets (SDS) recommend using protective equipment such as gloves, goggles, and a fume hood. It is important to follow standard chemical safety protocols to minimize exposure and ensure safe handling.

How should 2,5-Difluorobenzoic acid (CAS: 2991-28-8) be stored?

2,5-Difluorobenzoic acid (CAS: 2991-28-8) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or plastic to prevent degradation. Storage conditions should maintain a temperature below 25°C and low humidity to ensure stability. Avoid exposure to incompatible substances and keep it in a designated chemical storage cabinet.