2-(2-Bromo-3-fluorophenyl)acetic acid

Basic Information

View in Editor

CAS Number

958454-33-6

Molecular Formula

C8H6BrFO2

Molecular Weight

233.04 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

312.2±27.0℃ at 760 mmHg

Density

1.697±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

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

InChI

InChI=1S/C8H6BrFO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12)

InChIKey

GQCHYZKUKPMGKK-UHFFFAOYSA-N

LogP

2.2153

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

174

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(2-Bromo-3-fluorophenyl)acetic acid
(2-Bromo-3-Fluoro-Phenyl)-Acetic Acid
2-(2-bromo-3-fluoro-phenyl)acetic acid
2-Bromo-3-fluorophenylacetic acid
(2-bromo-3-fluorophenyl)acetic acid
2-Bromo-3-fluorophenylaceticacid
SBB098020
6562AC
AM62262
2-(2-bromanyl-3-fluoranyl-phenyl)ethanoic acid
A837971
2-Bromo-3-fluorobenzeneacetic acid (ACI)
2-(2-Bromo-3-fluorophenyl)aceticacid
SY032195
EN300-1897090
DTXSID20650425
AS-10434
CS-0041784
958454-33-6
SCHEMBL25679309
(2-Bromo-3-fluoro-phenyl)-acetic acid
2-(2-bromo-3-fluorophenyl)acetic acid
AKOS015835172
MFCD09864672

MDL Number

MFCD09864672

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6)?

2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous chemicals. In Europe, it is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may require specific safety data sheets (SDS) and environmental management plans.

Are there alternatives to 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6) in synthesis?

There are alternative reagents and pathways that can be used in the synthesis of 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6). For instance, bromination of 3-fluoroaniline followed by acetylation can be used as an alternative to direct bromo-derivatization. Other analogs like 2-(2-chloro-3-fluorophenyl)acetic acid can also be considered based on specific synthesis requirements.

What is the market or research trend for 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6)?

The market for 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6) is currently showing steady growth, particularly in the pharmaceutical and agrochemical industries. Research trends indicate increased interest in its use as a precursor for drug development and as a functional group in organic synthesis. Emerging studies focus on its potential applications in drug design and synthesis of bioactive molecules.

How should waste containing 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6) be handled?

Waste containing 2-(2-Bromo-3-fluorophenyl)acetic acid (CAS: 958454-33-6) should be collected in proper containers and disposed of through regulated hazardous waste facilities. Incineration is a common method, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Precautions include proper labeling, handling in a fume hood, and following safety protocols to prevent environmental contamination and ensure operator safety.