3-(4-Chlorophenyl)propanoic acid

Basic Information

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CAS Number

2019-34-3

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 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

127-131 °C

Boiling Point

306.6°C at 760 mmHg

Flash Point

139.2℃

Refractive Index

1.5242 (estimate)

SMILES

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C1=CC(=CC=C1CCC(=O)O)Cl

InChI

InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)

InChIKey

BBSLOKZINKEUCR-UHFFFAOYSA-N

LogP

2.3572000000000006

pKa

4.61(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

151

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PD174451
SY003370
J-510685
C2177
SCHEMBL349314
EN300-24304
CS-W007646
CHEMBL3819037
AMY3667
.BETA.-(P-CHLOROPHENYL)PROPIONIC ACID
AKOS000112333
AB01196
BP1.3473
isopentyl (isopentyloxycarbonyldisulfanyl)formate;3-(4-Chlorophenyl)-propionic acid
BDBM50180854
2019-34-3
4-CHLORO-BENZENEPROPANOIC ACID
3-(4-chlorophenyl)-propionic acid
p-Chlorohydrocinnamic acid
3-(4-Chlorophenyl)propanoic acid #
FT-0633981
Z178961272
BETA-(P-CHLOROPHENYL)PROPIONIC ACID
4-Chlorobenzenepropanoic acid
p-Chloro Benzenepropanoic Acid
4-chlorophenylpropionic acid
3-(4-chlorophenyl)propanoicacid
S0W
PITOLISANT METABOLITE BP1.3473
MFCD00016555
3-(4-Chlorophenyl)propanoic acid

MDL Number

MFCD00016555

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3)?

3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It must be managed according to its hazardous properties, which are classified by the Globally Harmonized System (GHS) as a skin irritant and a category 4 carcinogen. Compliance with REACH regulations on registration, evaluation, authorization, and restriction of chemicals is also mandatory. Additionally, it is important to adhere to local and national regulations regarding the handling, storage, and disposal of this compound.

Are there alternatives to 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3) in synthesis?

In synthesis, alternatives to 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3) include similar compounds such as 3-(4-bromophenyl)propanoic acid, 3-(3-chlorophenyl)propanoic acid, and 3-(4-fluorophenyl)propanoic acid, which may be used depending on the desired properties. Common alternative reagents include chloroacetyl chloride or acetyl chloride. These alternatives can offer similar structural features but with different functional groups, providing flexibility in chemical synthesis.

What is the market or research trend for 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3)?

The market for 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3) is driven by its use in pharmaceutical and chemical research. Recent trends indicate a growing interest in its application as an intermediary in the synthesis of pharmaceuticals and agrochemicals. Research is exploring its potential in developing new drugs and agrochemical products. Market trends suggest an increasing demand, particularly in regions where there is robust pharmaceutical and agrochemical development, but price fluctuations remain a consideration.

How should waste containing 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3) be handled?

Waste containing 3-(4-Chlorophenyl)propanoic acid (CAS: 2019-34-3) should be handled with caution due to its hazardous properties. Proper waste management involves collecting the waste in appropriate containers, ensuring it is labeled with the correct hazard symbols, and storing it in a secure, well-ventilated area. Disposal should occur through professional waste disposal services, following local and international regulations. Incineration is a common method for disposal, but it must be conducted in an enclosed system to prevent emissions. Environmental protection precautions include ensuring no accidental spills and that the waste is disposed of in a manner that minimizes environmental impact.