1-Ethyl-2-methyl-1H-indole

Basic Information

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CAS Number

40876-94-6

Molecular Formula

C11H13N

Molecular Weight

159.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

270°C

Flash Point

>230 °F

Refractive Index

n20/D 1.587(lit.)

SMILES

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CCN1C(=CC2=CC=CC=C21)C

InChI

InChI=1S/C11H13N/c1-3-12-9(2)8-10-6-4-5-7-11(10)12/h4-8H,3H2,1-2H3

InChIKey

XMOWAIVXKJWQBJ-UHFFFAOYSA-N

LogP

2.969620000000001

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

155

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

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

Synonyms & References

English

DS-18283
1-ethyl-2-methyl-indole
40876-94-6
EINECS 255-121-3
DTXSID7068261
1H-Indole, 1-ethyl-2-methyl-
SCHEMBL668767
XMOWAIVXKJWQBJ-UHFFFAOYSA-N
1-Ethyl-2-methylindole, 97%
NS00030863
A825328
AKOS003407041
1-Ethyl-2-methyl-1H-indole
1-Ethyl-2-methylindole
N-ethyl-2-methylindole
MFCD01632168
E1376
FT-0659500
D84345
1-ETHYL-2-METHYLINDOLE
1-Ethyl-2-methylndole
1H-Indole,1-ethyl-2-methyl-
5580AB
STK319342
TRA0096714
ST2403423
876E946

MDL Number

MFCD01632168

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6)?

1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6) is classified under GHS as category 2 for skin corrosion/irritation. It is subject to REACH regulations in the EU, requiring registration if the manufacturer or importer places 1 ton or more per year on the market. The FDA may regulate its use in pharmaceuticals, and the EPA oversees its environmental impact, particularly in the United States.

Are there alternatives to 1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6) in synthesis?

Yes, alternatives include 1-methyl-2-ethyl-1H-indole and 1-ethyl-2-isopropyl-1H-indole. Common reagents used in synthesis include anisole and ethyl acetate. These alternatives can be used as precursors or as intermediates in different chemical pathways.

What is the market or research trend for 1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6)?

The market trend for 1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6) is growing, driven by its use in flavor and fragrance industries. Research trends focus on its potential applications in pharmaceuticals and agrochemicals. Market demand is expected to increase with ongoing innovations in synthetic methods and new applications.

How should waste containing 1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6) be handled?

Waste containing 1-Ethyl-2-methyl-1H-indole (CAS: 40876-94-6) should be collected in a sealed container and disposed of according to local regulations. For large quantities, professional waste disposal services are recommended. Incineration is a common method, but ensure it meets environmental protection standards. Always follow EPA guidelines for safe disposal and handling to minimize environmental impact.