5,6-Diacetyl-1-indanone

Basic Information

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CAS Number

10500-57-9

Molecular Formula

C13H12O3

Molecular Weight

216.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

222°C

Flash Point

90℃

Refractive Index

1.5420 to 1.5450

SMILES

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C1CCC2=C(C1)C=CC=N2

InChI

InChI=1S/C13H12O3/c1-7(14)10-5-9-3-4-13(16)12(9)6-11(10)8(2)15/h5-6H,3-4H2,1-2H3

InChIKey

OVTQWEVOQMNFAP-UHFFFAOYSA-N

LogP

2.2207

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

111

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Sensitiveness

Sensitive to air

Synonyms & References

English

SCHEMBL26989
Z1201617100
EN300-80456
5,6,7,8-Tetra-hydroquinoline
CS-D1679
5,7,8-Tetrahydroquinoline
5,6,7,8-TETRAHYDRO-QUINOLINE
InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H
Quinoline,6,7,8-tetrahydro-
AKOS004910439
DTXSID40146911
UNII-L786AAG56H
EINECS 234-030-2
Quinoline, 5,6,7,8-tetrahydro-
L786AAG56H
5,6,7,8-Tetrahydroquinoline
2,3-Cyclohexeno pyridine
A801137
NS00023340
2,3-Cyclohexenopyridine
10500-57-9
SY004991
Q21099118
NSC241127
T1150
AS-12935
FT-0619805
Q-200524
NSC 241127
NSC-241127
MFCD00006734

MDL Number

MFCD00006734

FAQ

What is 5,6-Diacetyl-1-indanone (CAS: 10500-57-9)?

5,6-Diacetyl-1-indanone (CAS: 10500-57-9) is a ketone derivative of indanone, featuring acetyl groups at positions 5 and 6. Its chemical formula is C10H8O4, and it is a white crystalline solid with moderate solubility in organic solvents. This compound is notable for its stability and utility in organic synthesis, particularly as a key intermediate in pharmaceutical and research applications.

What are the main uses of 5,6-Diacetyl-1-indanone (CAS: 10500-57-9)?

5,6-Diacetyl-1-indanone (CAS: 10500-57-9) is primarily used in pharmaceuticals as a precursor for antibiotics, analgesics, and anti-inflammatory drugs. It also serves as an industrial chemical intermediate and is employed in research for synthesizing complex organic molecules. Its applications span drug development, material science, and chemical innovation due to its versatile reactivity and structural properties.

Is 5,6-Diacetyl-1-indanone (CAS: 10500-57-9) safe?

5,6-Diacetyl-1-indanone ( CAS: 10500-57-9) is considered safe when handled properly, but it has moderate toxicity if inhaled or ingested. Safety precautions include wearing gloves, goggles, and a lab coat, as well as using in well-ventilated areas. It adheres to standard chemical safety protocols, and regulatory bodies classify it for appropriate handling in industrial and research settings.

How should 5,6-Diacetyl-1-indanone (CAS: 10500-57-9) be stored?

5,6-Diacetyl-1-indanone (CAS: 10500-57-9) should be stored in a cool, dry place, away from light, in airtight containers. It is stable at room temperature but may degrade if exposed to high humidity or prolonged light. Storage in a sealed glass container is recommended to maintain its chemical integrity and prevent contamination.