1-(2,5-Dichlorophenyl)ethanone

Basic Information

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CAS Number

2476-37-1

Molecular Formula

C8H6Cl2O

Molecular Weight

189.04 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

14°C

Boiling Point

128°C/12mmHg

Refractive Index

n20/D 1.5624(lit.)

SMILES

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

InChI

InChI=1S/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

InChIKey

CYNFEPKQDJHIMV-UHFFFAOYSA-N

LogP

3.1960000000000015

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

158

Safety Information

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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

1-(2,5-Dichlorophenyl)ethanone #
2,5-dichloracetophenon
AKOS000119379
InChI=1/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
SY003147
2476-37-1
Z56963405
AC-2861
KE8ECJ9WDX
2`,5`-Dichloroacetophenone
2,5-dichloro acetophenone
NS00027733
CS-M0222
NSC6308
1-(2,5-Dichlorophenyl)ethanone
2',5'-Dichloroacetophenone
2',5'-Dichloroacetophenone, 98%
FT-0610295
1-(2,5-dichlorophenyl)ethan-1-one
2,5-Chloroacetophenone
EINECS 219-605-8
Acetophenone, 2',5'-dichloro-
CHEMBL4636915
PS-3393
Ethanone, 1-(2,5-dichlorophenyl)-
2 inverted exclamation mark ,5 inverted exclamation mark -Dichloroacetophenone
A817484
MFCD00000607
W-107283
Acetophenone,5'-dichloro-
2,5-Dichloroacetophenone

MDL Number

MFCD00000607

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1)?

1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1) is a white crystalline solid with a molecular weight of approximately 228.04 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. This compound is moderately reactive, showing electrophilic aromatic substitution and acetylation properties. It is commonly used in organic synthesis and pharmaceuticals.

How is 1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1) typically synthesized?

1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1) is typically synthesized via the condensation of 2,5-dichlorophenylacetic acid with formaldehyde under acidic conditions or via the direct chlorination of 1-phenylethanone. The reaction yields a high purity product with good yield and selectivity.

What industries use 1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1)?

1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1) is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of medicinal compounds. It is also utilized in the production of polymers and sensors for its functional group reactivity. Additionally, it has applications in the semiconductor industry due to its ability to participate in photochemical reactions.

What precautions should be taken when handling 1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1)?

When handling 1-(2,5-Dichlorophenyl)ethanone (CAS: 2476-37-1), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to minimize exposure to vapors. In case of a spill, immediately contain the spill and clean it up using appropriate procedures as outlined in the material safety data sheet (MSDS/SDS).