3-(2-Bromophenyl)acrylic acid

Basic Information

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CAS Number

7499-56-1

Molecular Formula

C9H7BrO2

Molecular Weight

227.06 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

217-219°C

Boiling Point

340 ℃ at 760 mmHg

Density

1.607

Flash Point

159.4 °C

SMILES

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

InChI

InChI=1S/C9H7BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)

InChIKey

OMHDOOAFLCMRFX-UHFFFAOYSA-N

LogP

2.5469

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

189

Synonyms & References

English

(E)-3-(2-bromophenyl)-2-propenoic acid
DTXSID801035323
A838302
(2E)-3-(2-bromophenyl)prop-2-enoic acid
(E)-3-(2-Bromophenyl)acrylic acid
NS00047586
7499-56-1
trans-2-BromocinnamicAcid
EN300-832905
trans-2-Bromocinnamic acid, 95%
(E)-3-(2-bromophenyl)prop-2-enoate
D73309
2-Bromocinnamicacid
NSC 407679
7345-79-1
(2E)-3-(2-bromophenyl)-2-propenoic acid
SCHEMBL1049718
B1943
AKOS000198561
EINECS 231-353-0
EN300-17783
2-Propenoic acid, 3-(2-bromophenyl)-, (E)-
OMHDOOAFLCMRFX-AATRIKPKSA-
AB01329261-02
NSC-407679
Cinnamic acid, o-bromo-
2-Bromo-trans-cinnamic acid
3-(2-Bromophenyl)acrylic acid
(E)-3-(2-bromophenyl)prop-2-enoic acid
NSC407679
o-Bromocinnamic acid

MDL Number

MFCD00016836

FAQ

What are the physical and chemical properties of 3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1)?

3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1) is a crystalline solid with a molecular weight of approximately 245.01 g/mol. It has a low solubility in water (0.1 g/100 mL at 20°C) and is soluble in organic solvents like ethanol and acetone. This compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but should be stored in a cool, dry place, away from direct sunlight.

How is 3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1) typically synthesized?

3-(2-Bromophenyl)acrylic acid is typically synthesized through a bromination reaction of 2-hydroxybenzaldehyde followed by dehydration and subsequent acidification. Commonly, N-bromosuccinimide (NBS) in the presence of an initiator like azobisisobutyronitrile (AIBN) is used as the brominating agent. The reaction yields a brominated product with high selectivity and good yield, making it a practical method for industrial production.

What industries use 3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1)?

3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1) is used in various industries including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the polymer industry for the production of functional coatings and adhesives. It is also employed in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1)?

When handling 3-(2-Bromophenyl)acrylic acid (CAS: 7499-56-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. This compound should be used in a fume hood to minimize inhalation risks. In case of a spill, neutralize the acid with a base and carefully clean up the area. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.