3-(3-fluorophenyl)prop-2-enoic acid

Basic Information

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CAS Number

458-46-8

Molecular Formula

C9H7FO2

Molecular Weight

166.15 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

165.0 to 168.0 deg-C

Boiling Point

125 ºC

Flash Point

230 °F

Refractive Index

1.507

SMILES

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

InChI

InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)

InChIKey

RTSIUKMGSDOSTI-UHFFFAOYSA-N

LogP

1.9235

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

189

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-(3-fluoro-phenyl)-acrylic acid
trans-3-Fluorocinnamic acid
CS-0130442
trans-3-(3-Fluorophenyl)propenoic acid
3-(3-fluorophenyl)prop-2-enoic acid
(2E)-3-(3-Fluorophenyl)-2-propenoic acid
20595-30-6
NS00043015
AKOS000263734
MFCD00004383
m-Fluorocinnamic acid
SCHEMBL79650
(E)-3-(3-Fluorophenyl)acrylic acid
AM20060150
3-Fluorocinnamic acid
m-fluoro-cinnamic acid
trans 3-fluorocinnamic acid
CK2538
458-46-8
EN300-17727
DTXSID001276012
3-(3-Fluorophenyl)acrylic acid
AC-3070
(E)-3-(3-fluorophenyl)prop-2-enoic acid
F0264
P19618
EN300-364799
EINECS 243-902-1
EINECS 207-281-0
3-(3-FLUOROPHENYL)propenoic acid
2-Propenoic acid, 3-(3-fluorophenyl)-

MDL Number

MFCD00004383

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8)?

3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous substances. In the European Union, it falls under the scope of the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for the handling, storage, and disposal of this compound. It is advised to consult the latest regulatory documents for detailed guidelines.

Are there alternatives to 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8) in synthesis?

While 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8) is a specific chemical, there are alternative reagents and analogs that can be used in synthesis depending on the desired outcome. For instance, other carboxylic acids with similar functional groups, such as 3-(4-fluorophenyl)prop-2-enoic acid, can be considered. Additionally, isomers and related compounds might serve as viable alternatives. It is important to evaluate the specific properties and reactivity of these alternatives for the intended application.

What is the market or research trend for 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8)?

The market for 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8) is primarily driven by its applications in pharmaceuticals and chemical intermediates. Research trends indicate an increasing focus on its use in drug discovery and development, particularly in the synthesis of novel compounds. There is also a growing emphasis on sustainability and the development of more environmentally friendly synthesis methods, which could influence the demand for this compound.

How should waste containing 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8) be handled?

Waste containing 3-(3-fluorophenyl)prop-2-enoic acid (CAS: 458-46-8) should be collected in appropriate containers and stored in a well-ventilated area away from sources of ignition. The waste should be disposed of via professional waste disposal services that comply with local regulations. Incineration is a common method for disposal, but it must be conducted in an environmentally controlled incinerator. Ensure that all handling and disposal procedures are conducted in accordance with the latest safety guidelines and regulatory requirements to prevent environmental contamination and ensure worker safety.