5-Bromo-2-fluorocinnamic acid

Basic Information

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CAS Number

202865-71-2

Molecular Formula

C9H6BrFO2

Molecular Weight

245.05 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

Melting Point

192-196 °C

Boiling Point

336°Cat760mmHg

Flash Point

157°C

Refractive Index

1.4240 (estimate)

SMILES

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C1=CC(=C(C=C1Br)C=CC(=O)O)F

InChI

InChI=1S/C9H6BrFO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)

InChIKey

ROTBALNVXDGIQY-UHFFFAOYSA-N

LogP

2.686000000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

218

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EN300-392912
EN300-17553
3-(5-bromo-2-fluorophenyl)prop-2-enoic acid
(E)-3-(5-bromo-2-fluorophenyl)acrylic acid
STR05152
5-Bromo-2-fluorocinnamic acid
AKOS000263594
5-Bromo-2-fluorocinnamic acid, 95%
202865-71-2
AB01334864-02
(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoic acid
(2E)-3-(5-bromo-2-fluorophenyl)prop-2-enoic acid
ROTBALNVXDGIQY-DAFODLJHSA-N
MFCD00143427
SCHEMBL1481643
SCHEMBL1481645
J-013185
Z56955960
N11792
CS-0044968
3-(5-BROMO-2-FLUOROPHENYL)-2-PROPENOIC ACID
744240-66-2
NCGC00342947-01
3-(5-BROMO-2-FLUORO-PHENYL)-ACRYLIC ACID
2-Propenoic acid, 3-(5-bromo-2-fluorophenyl)-
3-(5-bromo-2-fluorophenyl)-2-Propenoic acid
5-Bromo-2-fluorociamic acid
RARECHEM BK HW 0189
PubChem3230
STK893727
BBL021021

MDL Number

MFCD00143427

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 5-Bromo-2-fluorocinnamic acid (CAS: 202865-71-2)?

5-Bromo-2-fluorocinnamic acid is a crystalline solid with a molecular weight of approximately 241.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and acetone. Chemically, it is moderately reactive, especially towards nucleophiles. It is commonly used in organic synthesis and medicinal chemistry.

How is 5-Bromo-2-fluorocinnamic acid (CAS: 202865-71-2) typically synthesized?

5-Bromo-2-fluorocinnamic acid is synthesized through a series of steps, starting with 2-fluorocinnamic acid. Bromination is achieved using bromine in the presence of a Lewis acid like aluminum bromide. The reaction is typically carried out in an inert solvent like dichloromethane, with a yield of around 70-80% and good selectivity.

What industries use 5-Bromo-2-fluorocinnamic acid (CAS: 202865-71-2)?

5-Bromo-2-fluorocinnamic acid is primarily used in the pharmaceutical industry for the synthesis of drug candidates. It also finds applications in the polymer industry for the development of functional materials, and in the semiconductor industry for the production of materials used in sensor technologies.

What precautions should be taken when handling 5-Bromo-2-fluorocinnamic acid (CAS: 202865-71-2)?

When handling 5-Bromo-2-fluorocinnamic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure to bromine and other fumes. Spills should be cleaned up using appropriate absorbent materials, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for detailed spill procedures.