5-Chloro-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

17630-75-0

Molecular Formula

C8H6ClNO

Molecular Weight

167.59 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

194.0 to 199.0 deg-C

Boiling Point

348.3 °C at 760 mmHg

Density

1.362

Flash Point

164.5 °C

Solubility

Slightly Soluble (2.0 g/L) (25°C).

Refractive Index

1.663

SMILES

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C1C2=C(C=CC(=C2)Cl)NC1=O

InChI

InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

InChIKey

WWJLCYHYLZZXBE-UHFFFAOYSA-N

LogP

1.8345999999999998

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

183

Safety Information

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GHS Hazard Pictograms

H302

H317

H412

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

AKOS000119598
CHEMBL2381491
5-chloroindolin-2-one
5-Chlorooxindole
5-Chloro-2-oxindole, 98%
CS-W017824
5-chloro-1,3-dihydro-indole-2-one
5-Chloro-1,3-dihydro-indol-2-one
MFCD00191927
BDBM50434118
SY002546
5-chloranyl-1,3-dihydroindol-2-one
5-Chloro-1,3-dihydro-2H-indol-2-one
5-Chloro-1,3-dihydro-2H-indol-2-one #
CCG-47695
A5121
EN300-20136
FS-1780
NCGC00253720-01
BRD-K79714066-001-01-6
DTXSID6057667
FT-0601329
Tox21_113839
5-Chloro-2-indolinone 100 microg/mL in Acetonitrile
AC-5466
176861-98-6
C-5240
5-chloro-1,3-dihydroindol-2-one
2-Indolinone, 5-chloro-
AM20090789
2H-Indol-2-one, 5-chloro-1,3-dihydro-

MDL Number

MFCD00191927

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 5-Chloro-1,3-dihydro-2H-indol-2-one (CAS: 17630-75-0)?

5-Chloro-1,3-dihydro-2H-indol-2-one is a white crystalline solid with a molecular weight of approximately 226.65 g/mol. It has a pKa value of around 3.2 and is slightly soluble in water but more soluble in organic solvents such as methanol and ethanol. The compound shows moderate reactivity towards nucleophiles and electrophiles, and it is stable under acidic and neutral conditions but can degrade under basic conditions.

How is 5-Chloro-1,3-dihydro-2H-indol-2-one (CAS: 17630-75-0) typically synthesized?

5-Chloro-1,3-dihydro-2H-indol-2-one can be synthesized via a multi-step process. Common methods include the condensation of chloroacetic acid with indole followed by cyclization. This process typically requires the use of Lewis acids as catalysts and can achieve a yield of around 70-80%. Selectivity towards the desired product can be enhanced by careful control of reaction conditions.

What industries use 5-Chloro-1,3-dihydro-2H-indol-2-one (CAS: 17630-75-0)?

5-Chloro-1,3-dihydro-2H-indol-2-one is primarily used in the pharmaceutical industry for the development of various medicinal compounds. It is also utilized in the sensor technology industry for its potential to detect certain chemical species. Additionally, it can be used in the semiconductor industry for specific applications in materials science.

What precautions should be taken when handling 5-Chloro-1,3-dihydro-2H-indol-2-one (CAS: 17630-75-0)?

When handling 5-Chloro-1,3-dihydro-2H-indol-2-one, it is important to use proper personal protective equipment (PPE), such as gloves and safety goggles, to prevent skin and eye contact. It should be stored in a cool, dry place away from sources of heat and ignition. In case of spill, the area should be ventilated, and the spill should be cleaned up with appropriate tools. The safety data sheet (SDS) should be consulted for detailed handling and emergency procedures.