2-Bromo-4,5-difluorophenylacetic acid

Basic Information

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CAS Number

883502-07-6

Molecular Formula

C8H5BrF2O2

Molecular Weight

251.03 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

Boiling Point

313°C at 760 mmHg

Density

1.774

Water Solubility

Slightly soluble in water.

Flash Point

143.1°C

Refractive Index

1.549

SMILES

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

InChI

InChI=1S/C8H5BrF2O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

InChIKey

FQSLXVRCDYUESO-UHFFFAOYSA-N

LogP

2.3544

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

201

Synonyms & References

English

2-(2-Bromo-4,5-difluorophenyl)acetic acid
2-BROMO-4,5-DIFLUOROPHENYLACETIC ACID
Benzeneacetic acid,2-bromo-4,5-difluoro-
C8H5BrF2O2
2-Bromo-4,5-difluorophenylaceticacid
PubChem2702
SBB064743
PC2367
CL8753
DT2089
FCH1328170
AS00521
AM62279
BC002328
AB0065786
Benzeneacetic acid, 2-bromo-4,5-difluoro-
AX8022970
V8609
ST24039168
2-(2-bromo-4,5-difluorophenyl)acetic acid
2-Bromo-4,5-difluorobenzeneacetic acid (ACI)
2-(2-Bromo-4,5-difluorophenyl)aceticacid
SY109533
AKOS015890152
EN300-1913915
AC-26165
(2-bromo-4,5-difluorophenyl)acetic acid
DTXSID70395677
SCHEMBL3366555
DS-12962
2-Bromo-4,5-difluorophenylacetic acid

MDL Number

MFCD04973423

FAQ

What are the physical and chemical properties of 2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6)?

2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6) is a white crystalline solid with a molecular weight of approximately 262.03 g/mol. It has a low solubility in water (about 0.1 g/L) but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases to form the corresponding salt. It displays moderate reactivity with nucleophiles under certain conditions.

How is 2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6) typically synthesized?

2-Bromo-4,5-difluorophenylacetic acid can be synthesized by bromination of 4,5-difluorophenylacetic acid using N-bromosuccinimide (NBS) in the presence of a suitable solvent like acetonitrile. The reaction is typically carried out under light or UV irradiation. The yield can be up to 90% with good selectivity towards the bromo substitution.

What industries use 2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6)?

2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6) is primarily used in pharmaceuticals for the synthesis of various drug candidates. It is also utilized in the polymer industry for developing high-performance materials. Its unique chemical structure makes it valuable in the sensor and semiconductor industries for specific applications requiring fluorinated aromatics.

What precautions should be taken when handling 2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6)?

When handling 2-Bromo-4,5-difluorophenylacetic acid (CAS: 883502-07-6), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be handled with care, following the safety data sheet (SDS) guidelines. Immediate decontamination of the spill area is necessary, and the area should be thoroughly cleaned.