2-[4-(Bromomethyl)phenyl]propanoic acid

Basic Information

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CAS Number

111128-12-2

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

125.0 to 131.0 deg-C

Boiling Point

148°C (rough estimate)

Flash Point

162°C

Refractive Index

1.5220 (estimate)

SMILES

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CC(C1=CC=C(C=C1)CBr)C(=O)O

InChI

InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)

InChIKey

QQXBRVQJMKBAOZ-UHFFFAOYSA-N

LogP

2.7696000000000005

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

174

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

CS-W012755
Q-100065
4-(1-Carboxyethyl)benzyl bromide
Loxoprofen Impurity 28
2-(4-bromomethylphenyl)-proprionic acid
GS-3022
2-[4-(Bromomethyl)phenyl]propionic acid, 96%
2-(4-(Bromomethyl)phenyl)propanoic acid
2-(4-Bromomethyl-phenyl)-propionic acid
4-(Bromomethyl)hydratropic Acid
DTXSID10370064
EN300-157261
BMPPA
Loxoprofen intermediate
(R)-2-BENZYL-5-PENTENOICACID
A802297
MFCD02093445
QQXBRVQJMKBAOZ-UHFFFAOYSA-N
2-[(4-Bromomethyl)phenyl)]propionic Acid
AKOS015889848
BCP12222
2-[4-(Bromomethyl)phenyl]propionic Acid
2-(4-Bromomethyl)phenylpropionic acid
SCHEMBL346789
111128-12-2
B2101
2-(4-bromomethylphenyl)propionic acid
2-[4-(Bromomethyl)phenyl]propanoic acid
FT-0642719
AC-30317
p-Bromomethylphenylpropionic acid

MDL Number

MFCD02093445

Customs Code

2916399090

FAQ

What is 2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2)?

2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2) is an organic compound with the chemical formula C12H13BrO2. It is a brominated aromatic carboxylic acid, characterized by its molecular structure containing a bromomethyl group attached to a phenyl ring. This compound is commonly used in chemical synthesis as an intermediate and exhibits moderate solubility in polar solvents.

What are the main uses of 2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2)?

2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2) is primarily used in pharmaceutical research for the development of drug candidates, particularly in the synthesis of anti-inflammatory and antiviral agents. It also finds applications in organic chemistry as a building block for various functional molecules and in industrial processes for specialty chemical production.

Is 2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2) safe?

2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2) is considered hazardous due to its potential toxicity. It should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Safety data sheets (SDS) recommend avoiding inhalation, skin contact, and ingestion, and proper disposal methods should be followed to ensure environmental compliance.

How should 2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2) be stored?

2-[4-(Bromomethyl)phenyl]propanoic acid (CAS: 111128-12-2) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container, preferably made of glass or high-density polyethylene (HDPE), to prevent moisture absorption and contamination. Storage should be at a temperature below 25°C and in a place where it is not exposed to incompatible materials.