5-Bromo-6-chloro-1H-indol-3-yl octanoate

Basic Information

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CAS Number

209347-94-4

Molecular Formula

C16H19BrClNO2

Molecular Weight

372.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

57-62 °C

Solubility

Insuluble (5.6E-4 g/L) (25 ºC),

SMILES

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CCCCCCCC(=O)OC1=CNC2=CC(=C(C=C21)Br)Cl

InChI

InChI=1S/C16H19BrClNO2/c1-2-3-4-5-6-7-16(20)21-15-10-19-14-9-13(18)12(17)8-11(14)15/h8-10,19H,2-7H2,1H3

InChIKey

HODNRFUPDHGKHG-UHFFFAOYSA-N

LogP

5.849700000000004

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

342

Synonyms & References

English

CS-0314203
5-Bromo-6-chloro-3-indoxyl caprylate, Patent pending
B-7102
AS-68736
AKOS016015092
5-Bromo-6-chloro-3-indolyl caprylate, >=98.0% (HPLC)
5-Bromo-6-chloro-1H-indol-3-yl octanoate
B-7102_P00
(5-bromo-6-chloro-1H-indol-3-yl) Octanoate
AMY41428
FT-0660582
FD10018
SCHEMBL1121837
DTXSID10433264
MFCD00798386
209347-94-4
C16H19BrClNO2
AC-37046
Octanoic acid, 5-bromo-6-chloro-1H-indol-3-yl ester
5-Bromo-6-chloro-3-indoxyl caprylate
5-Bromo-6-chloro-3-indolyl caprylate
A879340
Magenta caprylate
(5-bromo-6-chloro-1H-indol-3-yl) octanoate
5-BROMO-6-CHLORO-3-INDOXYL CAPRYLATE
BIMB2110
MagentaC 8
Magenta-caprylate
Octanoic acid 5-bromo-6-chloro-1H-indol-3-yl ester

MDL Number

MFCD00798386

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4)?

5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4) has a crystalline form and a molecular weight of approximately 383.12 g/mol. It is slightly soluble in water and has good solubility in organic solvents such as ethanol and acetone. The compound is chemically stable but may react with strong oxidizing agents. It is not flammable and has a low reactivity under normal conditions.

How is 5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4) typically synthesized?

5-Bromo-6-chloro-1H-indol-3-yl octanoate is typically synthesized by reacting 5-bromo-6-chloro-1H-indole with octanoic anhydride in the presence of a catalyst such as 4-Aminopyridine. The reaction yields a mixture of products, and purification is achieved through recrystallization. The yield is approximately 75-85%, and the selectivity for the desired product is high.

What industries use 5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4)?

5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4) is primarily used in the pharmaceutical industry for the development of new drugs. It also has potential applications in the polymer industry for enhancing the properties of polymers, and in the field of sensors for its sensing capabilities under specific conditions.

What precautions should be taken when handling 5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4)?

When handling 5-Bromo-6-chloro-1H-indol-3-yl octanoate (CAS: 209347-94-4), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, clean up immediately using appropriate absorbent materials and follow safety data sheet (SDS) guidelines for disposal.