3-Oxo-5-indanecarbonitrile

Basic Information

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CAS Number

69975-66-2

Molecular Formula

C10H7NO

Molecular Weight

146.19 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

312.6℃ at 760 mmHg

SMILES

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C1CC(=O)C2=C1C=CC(=C2)C#N

InChI

InChI=1S/C10H7NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5H,3-4H2

InChIKey

UJBIKXKXAWDYIB-UHFFFAOYSA-N

LogP

2.12392

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

250

Synonyms & References

English

3-Oxo-indan-5-carbonitrile
DTXSID10452470
EN300-171089
FT-0646492
UJBIKXKXAWDYIB-UHFFFAOYSA-N
A26841
AKOS006277733
6-Cyano-1-indanone
MB02308
MFCD02179291
SY047608
3-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRILE
CS-D0094
3-OXOINDANE-5-CARBONITRILE
SCHEMBL435225
A836719
3-oxidanylidene-1,2-dihydroindene-5-carbonitrile
1H-INDENE-5-CARBONITRILE, 2,3-DIHYDRO-3-OXO-
Z1198159841
J-512996
1-oxo-6-indanecarbonitrile
69975-66-2
2,3-Dihydro-3-oxo-1H-indene-5-carbonitrile
3-oxo-1,2-dihydro-indene-5-carbonitrile
AC-2270
FS-3464
6-CYANOINDANONE
3-oxo-1,2-dihydroindene-5-carbonitrile
WLZ3232
6-Cyano-2,3-dihydro-1H-inden-1-one
1H-Indene-5-carbonitrile, 2,3-dihydro-3-oxo-

MDL Number

MFCD02179291

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-Oxo-5-indanecarbonitrile (CAS: 69975-66-2)?

3-Oxo-5-indanecarbonitrile is a white or off-white crystalline solid with a molecular weight of approximately 202.2 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly with nucleophiles, and is susceptible to hydrolysis under basic conditions.

How is 3-Oxo-5-indanecarbonitrile (CAS: 69975-66-2) typically synthesized?

3-Oxo-5-indanecarbonitrile is commonly synthesized through the condensation of indanone with an appropriate nitrile followed by dehydration. This reaction is typically catalyzed by a strong acid, and the process yields the target compound with good selectivity and moderate to high yield, depending on the specific reaction conditions.

What industries use 3-Oxo-5-indanecarbonitrile (CAS: 69975-66-2)?

3-Oxo-5-indanecarbonitrile (CAS: 69975-66-2) is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer for the production of specific types of plastics, and in the chemical sensor industry for developing gas sensing materials.

What precautions should be taken when handling 3-Oxo-5-indanecarbonitrile (CAS: 69975-66-2)?

When handling 3-Oxo-5-indanecarbonitrile (CAS: 69975-66-2), it is important to use appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be managed carefully, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for specific spill and disposal procedures.