(4-Bromophenoxy)acetic acid

Basic Information

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CAS Number

1878-91-7

Molecular Formula

C8H7BrO3

Molecular Weight

231.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

149-153 °C

Boiling Point

337.9 ℃ at 760 mmHg

Flash Point

158.2℃

Refractive Index

1.4730 (estimate)

SMILES

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C1=CC(=CC=C1OCC(=O)O)Br

InChI

InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

SZEBGAQWWSUOHT-UHFFFAOYSA-N

LogP

1.9125

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

152

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(4-Bromophenoxy)ethanoic acid
SCHEMBL653251
Acetic acid, (p-bromophenoxy)-
Acetic acid, (4-bromophenoxy)-
SY012298
p-Bromophenoxyaceticacid
Z56812736
NSC65085
AKOS000264432
F1924-0026
4-Bromophenoxyacetic acid
CHEMBL173307
HMS1399J14
EN300-08078
LS-01092
SZEBGAQWWSUOHT-UHFFFAOYSA-
BB 0221133
4-BPA
B2746
NSC 65085
p-Bromophenoxyacetate
Acetic acid, 2-(4-bromophenoxy)-
A50579
Enamine_001972
MFCD00093070
FT-0633890
UNII-QM8SNH9TP7
4-Bromophenoxyacetic acid 100 microg/mL in Acetonitrile
2-(4-bromophenoxy)acetic acid
QM8SNH9TP7
p-Bromophenoxyacetic acvid

MDL Number

MFCD00093070

Customs Code

2918990090

FAQ

What are the physical and chemical properties of (4-Bromophenoxy)acetic acid (CAS: 1878-91-7)?

(4-Bromophenoxy)acetic acid (CAS: 1878-91-7) is a white crystalline solid with a molecular weight of 233.02 g/mol. It has a low solubility in water but is soluble in organic solvents. This compound is moderately reactive, particularly with strong bases and nucleophiles. It is used in various applications due to its reactivity and specific functional groups.

How is (4-Bromophenoxy)acetic acid (CAS: 1878-91-7) typically synthesized?

(4-Bromophenoxy)acetic acid (CAS: 1878-91-7) is synthesized through the bromination of phenol followed by acetylation. Commonly, bromination is achieved with bromine in the presence of a Lewis acid like aluminum bromide. The resulting bromophenol is then acetylated with acetic anhydride to form the target compound. The synthesis typically yields 70-80% purity with high selectivity and moderate reaction times.

What industries use (4-Bromophenoxy)acetic acid (CAS: 1878-91-7)?

(4-Bromophenoxy)acetic acid (CAS: 1878-91-7) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer component, and in the semiconductor industry due to its unique chemical properties. Additionally, it is utilized in the development of certain sensors and as a research reagent.

What precautions should be taken when handling (4-Bromophenoxy)acetic acid (CAS: 1878-91-7)?

When handling (4-Bromophenoxy)acetic acid (CAS: 1878-91-7), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn to protect against skin and eye contact. It should be stored in a cool, dry place away from sources of heat and ignition. In case of a spill, it should be handled using proper spill response techniques, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.