3,4-Difluorobenzoic acid

Basic Information

View in Editor

CAS Number

455-86-7

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

121.0 to 124.0 deg-C

Boiling Point

257°C at 760 mmHg

Flash Point

109.2℃

SMILES

View in Editor

C1=CC(=C(C=C1C(=O)O)F)F

InChI

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

InChIKey

FPENCTDAQQQKNY-UHFFFAOYSA-N

LogP

1.663

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

161

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H315

H319

H335

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

Z104341246
NSC 190686
EINECS 207-249-6
3,4-Dichloropnenol
A1712
CS-W009127
FT-0614279
NS00044053
NSC-190686
3,4-Difluorobenzoic acid
SY005367
Benzoic acid, 3,4-difluoro-
3,4-Difluorobenzoicacid
3,4-Difluorobenzoic acid, 98%
Q-200340
InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11
J5J3RFV8N6
SCHEMBL27151
CK2210
AM20040508
3,4-Difluorobenzoic acid, purum, >=98.0% (T)
DTXSID60196539
F0001-1233
NSC190686
455-86-7
AN-652/40227387
D1908
MFCD00011672
3,4-difluoro-benzoic acid
BS-3870
AKOS000121204

MDL Number

MFCD00011672

Customs Code

2916399090

FAQ

What is 3,4-Difluorobenzoic acid (CAS: 455-86-7)?

3,4-Difluorobenzoic acid (CAS: 455-86-7) is an organic compound with the chemical formula C7H4F2O2. It is a substituted benzoic acid, featuring fluorine atoms at the 3 and 4 positions on the benzene ring. This compound is known for its aromatic structure and acidic properties, making it relevant in various chemical applications.

What are the main uses of 3,4-Difluorobenzoic acid (CAS: 455-86-7)?

3,4-Difluorobenzoic acid (CAS: 455-86-7) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, polymer science, and as an intermediate in the production of agrochemicals. Its unique fluorinated structure contributes to its utility in creating compounds with specific biological and chemical properties.

Is 3,4-Difluorobenzoic acid (CAS: 455-86-7) safe?

3,4-Difluorobenzoic acid (CAS: 455-86-7) is generally considered safe when handled properly. However, it may cause skin and eye irritation, so protective gloves, goggles, and ventilation are recommended. Safety data sheets should be consulted for proper handling and disposal guidelines to ensure compliance with chemical safety standards.

How should 3,4-Difluorobenzoic acid (CAS: 455-86-7) be stored?

3,4-Difluorobenzoic acid (CAS: 455-86-7) should be stored in a cool, dry place, away from light and moisture. It is best kept in a sealed, airtight container to maintain its stability and prevent degradation. Ensure proper labeling and storage conditions to avoid contamination and ensure safety.