(2E)-3-(3-Chlorophenyl)acrylic acid

Basic Information

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CAS Number

14473-90-6

Molecular Formula

C9H7ClO2

Molecular Weight

182.61 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

161-164 °C

Boiling Point

260.71°C (rough estimate)

Refractive Index

1.5426 (estimate)

SMILES

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C1=CC(=CC(=C1)Cl)C=CC(=O)O

InChI

InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+

InChIKey

FFKGOJWPSXRALK-SNAWJCMRSA-N

LogP

2.4378

pKa

4.29(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

189

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(3-chlorophenyl)prop-2-enoic acid
AKOS000263736
Z-lle-Phe-OH
(E)-m-Chlorocinnamic acid
3-(3-chlorophenyl)acrylicacid
A813070
InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4
14473-90-6
DTXSID10901054
NCGC00342186-01
Cinnamic acid, m-chloro-
NSC-61876
EN300-17548
LS-13583
3-Chlorocinnamicacid
EINECS 238-466-4
SR-01000597227-1
(E)-3-(3-chlorophenyl)prop-2-enoic acid
SR-01000597227
AC7822
BB 0254086
(E)-3-CHLOROCINNAMIC ACID
CHEMBL1771752
1866-38-2
NSC623439
(E)-3-(3-chloro-phenyl)-acrylic acid
AC-14172
(2E)-3-(3-Chlorophenyl)-2-propenoic acid
SCHEMBL79591
NS00087679
AB01334559-02

MDL Number

MFCD00004384

FAQ

What regulatory guidelines apply to (2E)-3-(3-Chlorophenyl)acrylic acid (CAS: 14473-90-6)?

Regulatory guidelines for (2E)-3-(3-Chlorophenyl)acrylic acid (CAS: 14473-90-6) include OSHA, EPA, and REACH regulations. It is classified as a hazardous substance under GHS (Globally Harmonized System of Classification and Labelling of Chemicals) due to its corrosive properties. Specific attention should be given to its handling, storage, and disposal according to local and international regulations.

Are there alternatives to (2E)-3-(3-Chlorophenyl)acrylic acid in synthesis?

There are several alternatives to (2E)-3-(3-Chlorophenyl)acrylic acid in synthesis, such as (2Z)-3-(3-Chlorophenyl)acrylic acid, which can be used as an isomer. Common substitute reagents include other acrylic acid derivatives and similar organic compounds with similar functional groups. These alternatives can offer similar reactivity while potentially reducing the complexity or cost of the synthesis.

What is the market or research trend for (2E)-3-(3-Chlorophenyl)acrylic acid?

The market for (2E)-3-(3-Chlorophenyl)acrylic acid is growing with increasing demand in pharmaceuticals, agrochemicals, and polymer industries. Research trends focus on developing new applications and improving synthetic methods. The compound is also being explored for its anti-inflammatory and analgesic properties in pharmaceutical research. Market trends indicate a steady increase due to its versatile functionality.

How should waste containing (2E)-3-(3-Chlorophenyl)acrylic acid be handled?

Waste containing (2E)-3-(3-Chlorophenyl)acrylic acid should be collected in appropriate waste containers and disposed of according to local regulations. It is recommended to incinerate hazardous waste or use professional waste disposal services. Environmental protection precautions include ensuring proper ventilation and the use of personal protective equipment to avoid exposure to the compound. Compliance with EPA and OSHA guidelines is crucial for safe waste handling and disposal.