3-(2-Chlorophenoxy)propanoic acid

Basic Information

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CAS Number

7170-45-8

Molecular Formula

C9H9ClO3

Molecular Weight

200.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

305.6℃at760mmHg

SMILES

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

InChI

InChI=1S/C9H9ClO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

InChIKey

UZFYWLRSVDZCSF-UHFFFAOYSA-N

LogP

2.1935000000000002

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

172

Synonyms & References

English

EINECS 230-521-0
3-(2-chlorophenoxy)propanoic acid
NSC 40780
7170-45-8
NS00037277
3-(2-Chlorophenoxy)propionic acid
DTXSID30221923
EN300-36006
Propanoic acid, 3-(2-chlorophenoxy)-
AS-61444
AJ-087/13156515
CS-0038126
dl-2-(O-Chlorophenoxy)propionic acid
MFCD02295728
Z206905212
W12416
3-2-Chloro-phenoxy-propionic acid
AKOS000127612
FT-0767602
SY008355
SCHEMBL578719
NSC40780
NSC-40780
3-(2-chlorophenoxy)propanoicacid
HX5S7BP6XL
A866382
3-(2-Chlorophenoxy)propanoic acid
3-(2-Chlorophenoxy)propionic Acid
3-(2-chloro-phenoxy)-propionic acid
3-(2-Chlor-phenoxy)-propionsaeure
3-2-chloro-phenoxy-propionic acid

MDL Number

MFCD02295728

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 3-(2-Chlorophenoxy)propanoic acid (CAS: 7170-45-8)?

3-(2-Chlorophenoxy)propanoic acid is a white crystalline solid with a molecular weight of approximately 222.6 g/mol. It is slightly soluble in water and more soluble in common organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can react with strong bases to form sodium salts. It is not flammable and has a pKa of around 4.5.

How is 3-(2-Chlorophenoxy)propanoic acid (CAS: 7170-45-8) typically synthesized?

3-(2-Chlorophenoxy)propanoic acid is typically synthesized via the Friedel-Crafts acylation of 2-chlorophenol with propanoyl chloride. The reaction is catalyzed by an aluminum chloride (AlCl₃) and proceeds under reflux conditions. The yield is generally high, around 80-90%, and the product is purified by recrystallization from water or ethanol.

What industries use 3-(2-Chlorophenoxy)propanoic acid (CAS: 7170-45-8)?

3-(2-Chlorophenoxy)propanoic acid is used in the pharmaceutical industry as an intermediate for the synthesis of certain herbicides and fungicides. It is also utilized in the production of sensors and polymers, where its chemical properties make it suitable for specific applications in these industries.

What precautions should be taken when handling 3-(2-Chlorophenoxy)propanoic acid (CAS: 7170-45-8)?

When handling 3-(2-Chlorophenoxy)propanoic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store the compound in a cool, dry place and avoid contact with water or strong bases. In case of spill, do not use a dry sweep; instead, use a damp mop or cloth to clean up. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage recommendations.