4-Butylbenzoyl chloride

Basic Information

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CAS Number

28788-62-7

Molecular Formula

C11H13ClO

Molecular Weight

196.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

155-156 °C/22 mmHg

Water Solubility

Reacts with water.

Refractive Index

n20/D 1.5351(lit.)

SMILES

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CCCCC1=CC=C(C=C1)C(=O)Cl

InChI

InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3

InChIKey

OUOWCSJYDCPVDM-UHFFFAOYSA-N

LogP

3.4082000000000026

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

160

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

Sensitiveness

Moisture Sensitive

Synonyms & References

English

28788-62-7
SCHEMBL1020423
FT-0617946
4-1-butylbenzoyl chloride
J-017261
4-n-butyl benzoyl chloride
p-n-butyl benzoylchloride
4-(n-butyl)benzoyl chloride
4-N-ButYl-Benzoyl Chloride
AKOS004908255
F20426
4-butyl-1-benzenecarbonyl chloride
p-n-butylbenzoyl chloride
Benzoyl chloride, 4-butyl-
4-butylbenzoylchloride
EINECS 249-224-2
4-butylbenzoyl chloride (en)
B2297
p-butylbenzoic acid chloride
4-Butylbenzoyl chloride, 97%
4-Butylbenzoyl chloride
BS-43970
NS00028544
4-n-Butylbenzoylchloride
p-Butylbenzoyl chloride
MFCD00000699
4-n-Butylbenzoyl chloride
DTXSID1067413
4-butylbenzoyl chloride
p-Butylbenzoyl Chloride
4-Butyl-Benzoyl Chloride

MDL Number

MFCD00000699

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Butylbenzoyl chloride (CAS: 28788-62-7)?

4-Butylbenzoyl chloride is a colorless to light yellow liquid with a pungent, aromatic odor. It has a molecular weight of approximately 213.26 g/mol and a boiling point of 121-122°C. The compound is soluble in water (25°C: 0.8 g/100 mL) and readily soluble in organic solvents like ethanol, acetonitrile, and toluene. It is reactive and prone to hydrolysis to form 4-Butylbenzoic acid.

How is 4-Butylbenzoyl chloride (CAS: 28788-62-7) typically synthesized?

4-Butylbenzoyl chloride is synthesized by treating 4-Butylbenzoic acid with thionyl chloride in the presence of a catalyst such as aluminum chloride. The reaction proceeds at room temperature, yielding a crude product that is typically purified by recrystallization or distillation. The overall yield of the reaction is generally around 85-90%.

What industries use 4-Butylbenzoyl chloride (CAS: 28788-62-7)?

4-Butylbenzoyl chloride is used in the pharmaceutical industry as a precursor for the synthesis of drugs and intermediates. It is also utilized in the polymer industry for the modification of polymers and in the production of certain types of plastics. Additionally, this compound is employed in the semiconductor industry for the development of photoresists and in the production of sensors.

What precautions should be taken when handling 4-Butylbenzoyl chloride (CAS: 28788-62-7)?

Handling 4-Butylbenzoyl chloride requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its volatility. Spills should be cleaned up with caution using appropriate absorbents and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed emergency response procedures and storage conditions. This compound is reactive and can hydrolyze, so it should be stored in a cool, dry place, away from heat sources and incompatible materials.