6-Chloro-7-methyl-4H-chromen-4-one

Basic Information

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CAS Number

67029-84-9

Molecular Formula

C10H7ClO2

Molecular Weight

194.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

169.0 to 173.0 deg-C

Boiling Point

341.8°C at 760 mmHg

Density

1.293

Flash Point

154.8°C

Refractive Index

1.57

SMILES

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CC1=CC2=C(C=C1Cl)C(=O)C=CO2

InChI

InChI=1S/C10H7ClO2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h2-5H,1H3

InChIKey

UQXYHMICNLSDMN-UHFFFAOYSA-N

LogP

2.7548200000000014

Topological Polar Surface Area

30.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

249

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

Synonyms & References

English

6-chloro-7-methyl-4H-chromen-4-one
6-chloro-7-methylchromone
6-Chloro-7-methylchromone, AldrichCPR
C3035
CS-0317344
T71201
MFCD00239401
FT-0694786
InChI=1/C10H7ClO2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h2-5H,1H
6-chloro-7-methylchromen-4-one
AS-60370
67029-84-9
SCHEMBL7033702
4H-1-Benzopyran-4-one,6-chloro-7-Methyl
6-CHLORO-7-METHYL-4H-CHROMEN-4-ONE

MDL Number

MFCD00239401

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9)?

6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9) is a crystalline solid with a molecular weight of approximately 206.01 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and dichloromethane. This compound is chemically stable but can react with strong bases and reducing agents. It has a characteristic chromone ring, which contributes to its UV-Vis spectrum.

How is 6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9) typically synthesized?

6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9) is typically synthesized via a condensation reaction between 7-methyl-4H-chromen-4-one and chloromethyl ketone. The reaction is catalyzed by a Lewis acid such as aluminum chloride and proceeds with good yield. The product undergoes selective chlorination, ensuring high purity and minimal side products.

What industries use 6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9)?

6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9) finds applications in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the polymer industry as a precursor for functional polymers. Additionally, it serves as a reagent in analytical chemistry for developing sensors and in the semiconductor industry for specific processes.

What precautions should be taken when handling 6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9)?

When handling 6-Chloro-7-methyl-4H-chromen-4-one (CAS: 67029-84-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Fume hoods should be used during handling to minimize exposure. In case of a spill, neutralize with a base and dispose of according to local hazardous waste regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.