4-Chlorobutanoic acid

Basic Information

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CAS Number

627-00-9

Molecular Formula

C4H7ClO2

Molecular Weight

122.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

12-16 °C

Boiling Point

125°C/15mmHg

Density

1.24 g/mL at 25 °C

Refractive Index

n20/D 1.451(lit.)

SMILES

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OC(=O)CCCCl

InChI

InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

InChIKey

IPLKGJHGWCVSOG-UHFFFAOYSA-N

LogP

1.09

pKa

4.52(at RT℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

62.7

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

4-Chlorobutanoic acid
4-Chlorobutyric Acid
Butanoic acid,4-chloro-
NSC 6391
NSC 76578
gamma-Chlorobutyric acid
4-Chlorobutyric acid
4-chlorobutanoic acid

MDL Number

MFCD00002818

FAQ

What is 4-Chlorobutanoic acid (CAS: 627-00-9)?

4-Chlorobutanoic acid, also known as 2-Chlorobutyric acid, is an organic compound with the molecular formula C4H5ClO2. It is a white crystalline solid with a pungent odor. This acid is soluble in water and has a molecular weight of 126.57. It is used in various applications due to its chemical reactivity and structural properties.

What are the main uses of 4-Chlorobutanoic acid (CAS: 627-00-9)?

4-Chlorobutanoic acid is primarily used as a precursor in the synthesis of pharmaceuticals, agrochemicals, and industrial chemicals. It is also used as a reagent in organic synthesis, particularly in the modification of other compounds. Additionally, it has applications in the production of surfactants and as a monomer in polymer synthesis.

Is 4-Chlorobutanoic acid (CAS: 627-00-9) safe?

4-Chlorobutanoic acid is considered moderately toxic and should be handled with care. Exposure to the skin, eyes, or inhalation of the fumes can cause irritation. Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential when handling this compound. It is important to follow all safety guidelines and adhere to local regulations to ensure safety.

How should 4-Chlorobutanoic acid (CAS: 627-00-9) be stored?

4-Chlorobutanoic acid should be stored in a cool, dry, and well-ventilated area. It should be kept away from heat sources and direct sunlight. The containers should be tightly sealed to prevent evaporation and contamination. Store at room temperature (15-25°C) and avoid exposure to moisture and humidity. It is advisable to use a nitrogen or argon atmosphere to prevent oxidation. Always use appropriate storage containers, such as glass or Teflon-lined containers, to minimize chemical reactions and ensure stability.