5-Methyl-1H-indole

Basic Information

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CAS Number

614-96-0

Molecular Formula

C9H9N

Molecular Weight

131.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

60-62 °C

Boiling Point

100°C/3mmHg

Density

1.0202

Water Solubility

Insoluble in water.

Flash Point

100℃/3mm

Refractive Index

1.6070 (estimate)

SMILES

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CC1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3

InChIKey

YPKBCLZFIYBSHK-UHFFFAOYSA-N

LogP

2.4763200000000003

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

122

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

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

Sensitiveness

Light Sensitive

Synonyms & References

English

M0348
SY013930
NSC522562
4b3d
AC-16659
DTXSID6060638
614-96-0
CS-W001972
Indole, 5-methyl-
BIDD:GT0670
5-methyl-indole
5-Methyl-1H-indole #
CHEMBL112462
EN300-62051
Q4639639
KT52363RI5
SCHEMBL30882
1-(10-AZA-TRICYCLO[6.3.1.0]DODECA-2,4,6-TRIEN-10-YL)-2,2,2-TRIFLUORO-ETHANONE
UNII-KT52363RI5
BB 0260356
AM1100
Indole, 2
5-Methylindole, 99.0%+
InChI=1/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H
FT-0692787
1H-Indole, 5-methyl-
BCP26520
PB24528
5-Methylindol
F8889-8320
5-methyl indole

MDL Number

MFCD00005680

Customs Code

2933990090

FAQ

What is 5-Methyl-1H-indole (CAS: 614-96-0)?

5-Methyl-1H-indole is an organic compound with the chemical formula C9H11N. It is a derivative of indole with a methyl group attached to the nitrogen atom. This compound is commonly used in the synthesis of various natural product derivatives and pharmaceuticals.

What are the main uses of 5-Methyl-1H-indole (CAS: 614-96-0)?

5-Methyl-1H-indole is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds and as a starting material in organic synthesis. It is also utilized in natural product chemistry for the generation of indole derivatives with potential biological activities.

Is 5-Methyl-1H-indole (CAS: 614-96-0) safe?

5-Methyl-1H-indole is generally considered safe under normal handling conditions. However, it should be handled with care to avoid skin contact and inhalation. Proper ventilation and personal protective equipment (PPE) are recommended during use.

How should 5-Methyl-1H-indole (CAS: 614-96-0) be stored?

5-Methyl-1H-indole should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Avoid storing it near incompatible materials such as strong acids, oxidizers, or reducing agents.