1-(1H-Indol-3-yl)ethanone

Basic Information

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CAS Number

703-80-0

Molecular Formula

C10H9NO

Molecular Weight

159.19 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

188-192 °C

Boiling Point

333.9°C at 760 mmHg

Density

1.1202 (rough estimate)

Flash Point

163.7℃

Refractive Index

1.6070 (estimate)

SMILES

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CC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3

InChIKey

VUIMBZIZZFSQEE-UHFFFAOYSA-N

LogP

2.3705000000000007

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

190

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC 47180
Indol-3-yl methyl ketone
MFCD00005626
AM20050446
3-Acetylindole, practical grade
5-21-08-00297 (Beilstein Handbook Reference)
1-(1H-Indol-3-yl)ethanone #
KETONE, INDOL-3-YL METHYL
AN-068/40177744
NCGC00320872-01
UNII-0HAT270V6U
1-(1H-indol-3-yl)-ethanone
8MQ
A15764
STR01618
NSC47180
AI3-51299
BCP26519
W10344
CS-W019453
3-Acetylindole, 98%
BDBM50591351
Q27236784
1-(1H-indol-3-yl)ethan-1-one
AB00460
Ethanone, 1-(1H-indol-3-yl)-
EINECS 211-875-5
SCHEMBL50742
AB00375940-03
F1727-0313
FT-0614887

MDL Number

MFCD00005626

Customs Code

29339990

FAQ

What are the physical and chemical properties of 1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0)?

1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0) is a crystalline compound with a molecular weight of approximately 152.21 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 under basic conditions. It decomposes above 200°C.

How is 1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0) typically synthesized?

1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0) is commonly synthesized via a condensation reaction between 3-indole and ethyl acetate. The reaction typically yields 90% pure product with a catalyst such as triphenylphosphine. The process requires mild heating and is completed within a few hours.

What industries use 1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0)?

1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0) is primarily used in the pharmaceutical industry as a precursor for indole derivatives, which are vital in the development of certain drugs. It also finds applications in the synthesis of organic pigments and in the production of some types of polymers.

What precautions should be taken when handling 1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0)?

When handling 1-(1H-Indol-3-yl)ethanone (CAS: 703-80-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood or a well-ventilated area. Spills should be cleaned up using appropriate methods, and all procedures should be conducted according to the Material Safety Data Sheet (MSDS/SDS).