6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

118307-04-3

Molecular Formula

C10H7Cl2NO2

Molecular Weight

244.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

202-206°C

Boiling Point

439.1°C at 760 mmHg

SMILES

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C1C2=CC(=C(C=C2NC1=O)Cl)C(=O)CCl

InChI

InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)

InChIKey

LWWVMDRRHHCTMZ-UHFFFAOYSA-N

LogP

2.2561

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

295

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

BCP19226
LWWVMDRRHHCTMZ-UHFFFAOYSA-N
NS00123336
6-CHLORO-5-(2-CHLOROACETYL)-2,3-DIHYDRO-1H-INDOL-2-ONE
5-(2-Chloro acetyl) -6-chloro oxindole
6-chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one
6-chloro-5-(2-chloro-acetyl)-1,3-dihydro-indol-2-one
AKOS005561611
FT-0642888
6-chloro-5-(2-chloroacetyl)indolin-2-one
A803907
MFCD04115735
5-CHLOROACETYL-6-CHLORO-1,3-DIHYDROINDOL-2H-INDONE-2-ONE
VS-02698
6-Chloro-5-(chloro acetyl)-1-,3-dihydro-2H-indol-2-one
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
5-Chloroacetyl-6-chloro-1,3-dihydro-2H-indole-2-one
118307-04-3
5-(2-Chloro acetyl)-6-chloro oxindole
AC-23359
CS-0054239
5-(2-chloroacetyl)-6-chlorooxindole
5-(2-CHLOROACETYL)-6-CHLORO-2-OXINDOLE
5-Cloroacetyl-6-chlorooxindole
6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one, AldrichCPR
2H-Indol-2-one, 6-chloro-5-(chloroacetyl)-1,3-dihydro-
J-003735
SCHEMBL622063
J-518578
DTXSID60395646
AB20497

MDL Number

MFCD04115735

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one (CAS: 118307-04-3)?

6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one is a crystalline solid with a molecular weight of approximately 287.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dichloromethane. The compound is known for its high reactivity, particularly towards nucleophiles. It has a pKa of around 7.5, indicating moderate acidity.

How is 6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one (CAS: 118304-3) typically synthesized?

6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one is typically synthesized via a multi-step process starting from indole. The key steps include chlorination, acetylation, and condensation reactions. The use of thionyl chloride and acetyl chloride as reagents facilitates the chlorination and acetylation steps, respectively. The overall yield is around 50-60%, with high selectivity towards the desired product.

What industries use 6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one (CAS: 118307-04-3)?

6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drug candidates. It also finds applications in the sensor industry, where its chemical reactivity allows for the detection of specific analytes. Additionally, it is used in polymer research, particularly in the development of new materials with specific functionalities.

What precautions should be taken when handling 6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one (CAS: 118307-04-3)?

When handling 6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one, it is essential to use Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a sealed container to prevent exposure to air and moisture. Storage should be in a cool, dry place away from direct sunlight. In case of spills, use appropriate cleanup methods and ensure proper disposal according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.