1-(3,4-Dichlorophenyl)-1-propanone

Basic Information

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CAS Number

6582-42-9

Molecular Formula

C9H8Cl2O

Molecular Weight

203.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

44.0 to 48.0 deg-C

Boiling Point

247°C

Density

1.2568 (rough estimate)

Refractive Index

1.5500 (estimate)

SMILES

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

InChI

InChI=1S/C9H8Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3

InChIKey

FKGDMSJKLIQBQS-UHFFFAOYSA-N

LogP

3.586100000000002

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

170

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

s11936
6582-42-9
A835243
HMS1405A20
3',4'-Dichloropropiophenone, 99%
AE-562/43461513
NS00046215
EN300-17015
3 inverted exclamation mark ,4 inverted exclamation mark -Dichloropropiophenone
DTXSID001297686
Z56858267
D3365
1-(3,4-Dichlorophenyl)-1-propanone #
AKOS000299377
MFCD00000554
1-(3,4-dichlorophenyl)propan-1-one
3',4'-Dichloropropiophenone
PS-8168
1-Propanone, 1-(3,4-dichlorophenyl)-
3,4-Dichlorophenyl Ethyl Ketone
AM1123
Enamine_003892
InChI=1/C9H8Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H
FT-0614846
W-104783
CS-W015475
SCHEMBL2127069
1-(3,4-Dichlorophenyl)-1-propanone
SY048848
3',4'-dichloropropiophenone
3’,4’-Dichloropropiophenone

MDL Number

MFCD00000554

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9)?

1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9) is a crystalline compound with a molecular weight of approximately 219.03 g/mol. It has a high melting point of 86-88°C and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is known for its moderate reactivity, particularly in electrophilic aromatic substitution reactions. It is used in the synthesis of various pharmaceuticals and polymers.

How is 1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9) typically synthesized?

1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9) can be synthesized via the acylation of 3,4-dichlorophenol with propanoyl chloride in the presence of a strong acid catalyst, such as sulfuric acid. The reaction is carried out at room temperature, and the product can be isolated by recrystallization. The yield is typically around 85-90%, and the reaction is highly selective for the desired product.

What industries use 1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9)?

1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various drugs and is also used in the production of certain polymers due to its reactivity and stability. Additionally, it finds applications in the chemical sensing industry for the development of gas sensors.

What precautions should be taken when handling 1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9)?

When handling 1-(3,4-Dichlorophenyl)-1-propanone (CAS: 6582-42-9), appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled under a fume hood to avoid inhalation. In case of a spill, ensure proper containment and clean up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.