1,5,6,7-Tetrahydro-4H-indol-4-one

Basic Information

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CAS Number

13754-86-4

Molecular Formula

C8H9NO

Molecular Weight

135.17 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

Basic Physical Properties

Melting Point

186.0 to 191.0 deg-C

Boiling Point

311 ºC

Flash Point

150 ºC

SMILES

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C1CC2=C(C=CN2)C(=O)C1

InChI

InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2

InChIKey

KASJZXHXXNEULX-UHFFFAOYSA-N

LogP

1.5337

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

155

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

4,5,6,7-TETRAHYDRO-1H-INDOL-4-ONE
AM803187
13754-86-4
A855917
NSC-131681
1,5,6,7-Tetrahydro-4H-indol-4-one #
Z905041600
NSC131681
BCP05724
6,7-dihydro-1H-indol-4(5H)-one
SCHEMBL689700
DTXSID40299633
BB 0323370
1,5,6,7-tetrahyro-indol-4-one
4H-Indol-4-one,1,5,6,7-tetrahydro-
SY027852
pyrrolo[b]cyclohexanone
1,5,6,7-Tetrahydro-4-indolone
NSC 131681
EN300-91733
1,5,6,7-tetrahydro-4h-indol-4-one (en)
AE-641/02486014
NS00122757
1,5,6,7-Tetrahydro-4H-indol-4-one, 98%
1,5,6,7-tetrahydroindol-4-one
6,7-Dihydroindol-4(5H)-one
AKOS000505931
4-Oxo-4,5,6,7-tetrahydroindole
FT-0697617
T1435
J-007037

MDL Number

MFCD00075438

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4)?

1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4) is a crystalline solid with a molecular weight of approximately 180.25 g/mol. It has a mild solubility in organic solvents such as methanol and acetone but is poorly soluble in water. Chemically, it exhibits moderate reactivity, particularly towards nucleophiles and reducing agents.

How is 1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4) typically synthesized?

1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4) is commonly synthesized via the condensation of indole with formaldehyde in the presence of a strong base such as sodium hydroxide. The reaction yields high selectivity and moderate to good yields, depending on the reaction conditions.

What industries use 1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4)?

1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4) is primarily used in the pharmaceutical industry for the synthesis of various biologically active compounds. It is also utilized in the production of certain dyes and in the development of sensors and semiconductors.

What precautions should be taken when handling 1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4)?

When handling 1,5,6,7-Tetrahydro-4H-indol-4-one (CAS: 13754-86-4), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up carefully, following standard procedures. For more detailed information, refer to the Safety Data Sheet (SDS).