5-Bromo-6-chloro-1H-indole

Basic Information

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CAS Number

122531-09-3

Molecular Formula

C8H5BrClN

Molecular Weight

230.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

161-163°C

Boiling Point

358 ºC

Flash Point

170 ºC

SMILES

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C1=CNC2=CC(=C(C=C21)Br)Cl

InChI

InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

InChIKey

SMZUROGBNBCCPT-UHFFFAOYSA-N

LogP

3.583800000000001

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

153

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

Synonyms & References

English

5-Bromo-6-chloro-1H-indole
5-bromo-6-chloro-indole
1H-Indole,5-bromo-6-chloro
5-bromo-6-chloro indole
1H-Indole, 5-broMo-6-chloro-
5-Bromo-6-Chloroindole
SMZUROGBNBCCPT-UHFFFAOYSA-N
BCP05681
SB15079
BC005189
BC258470
AB0051485
ST24023976
Z4001
Z1695822033
5-bromo-6-chloro-1H-indole
AS-20031
DB-062068
AKOS015999526
Z1269179223
DTXSID60560074
CHEMBL5202453
122531-09-3
BDBM50590132
SY039037
AMY7394
5-BROMO-6-CHLORO-INDOLE
CS-W006751
EN300-138581
AC-24844
1H-Indole, 5-bromo-6-chloro-

MDL Number

MFCD11848566

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3)?

5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3) falls under the classification of organic compounds with bromine and chlorine substituents. It is subject to regulatory guidelines such as GHS (Global Harmonized System of Classification and Labeling of Chemicals), REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union, and FDA/EPA requirements in the United States. Specific handling, storage, and disposal guidelines must be followed to ensure safety and compliance.

Are there alternatives to 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3) in synthesis?

While 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3) is a specific compound, there are alternatives that can be used in synthesis, such as other brominated or chlorinated indoles. Commonly used substitutes include 5-chloro-6-methyl-1H-indole and 5-bromo-1H-indole. These alternatives can offer similar structural features and functional groups, making them suitable for various chemical reactions and applications.

What is the market or research trend for 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3)?

The market for 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3) is driven by its use in pharmaceutical and agrochemical industries. Research trends show an increasing interest in its application as a precursor in medicinal chemistry and as an intermediate in the synthesis of bioactive compounds. Additionally, there is growing research into its potential as a building block for medicinal and material science applications.

How should waste containing 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3) be handled?

Waste containing 5-Bromo-6-chloro-1H-indole (CAS: 122531-09-3) should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. It is recommended to incinerate the waste in a controlled incineration facility or use a professional waste disposal service. Environmental protection measures should be taken to ensure the waste is handled safely and in compliance with local regulations and guidelines.