3-Bromo-1-(phenylsulfonyl)-1H-indole

Basic Information

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CAS Number

99655-68-2

Molecular Formula

C14H10BrNO2S

Molecular Weight

336.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

122-126 °C

SMILES

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C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H

InChIKey

MXPFKHHDXIJNDX-UHFFFAOYSA-N

LogP

3.6408000000000014

Topological Polar Surface Area

39.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

414

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3-Bromo-1-(phenylsulfonyl)indole
3-Bromo-(1-phenylsulfonyl)indole
AMY7300
1-(benzenesulfonyl)-3-bromoindole
1-Phenylsulphonyl-3-bromoindole
1-(benzenesulfonyl)-3-bromo-1H-indole
MFCD02681986
1-Benzenesulfonyl-3-bromoindole
1-(Benzenesulfonyl)-3-bromo-indole
DTXSID10379895
1H-Indole, 3-bromo-1-(phenylsulfonyl)-
3-BROMO-1-BENZENESULPHONYLINDOLE
99655-68-2
1-(Benzenesulphonyl)-3-bromo-1H-indole
SCHEMBL1996382
3-Bromo-1-(phenylsulphonyl)-1H-indole
PS-7014
1-Benzenesulfonyl-3-bromo-1H-indole
AKOS015835795
ZDA65568
FT-0615115
1-benzene-sulfonyl-3-bromo-1H-indole
J-503491
MXPFKHHDXIJNDX-UHFFFAOYSA-N
CS-B1019
D77244
3-BROMO-1-(PHENYLSULFONYL)-1H-INDOLE
3-Bromo-(1-phenylsulfonyl)indole, 95%
1-Phenylsulfonyl-3-bromoindole
3-Bromo-1-(phenylsulfonyl)-1H-indole
3-BROMO-1-(PHENYLSULPHONYL)INDOLE

MDL Number

MFCD02681986

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2)?

3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2) is a crystalline compound with a molecular weight of approximately 324.21 g/mol. It has a low water solubility and is slightly soluble in organic solvents like ethanol. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It has a melting point of around 185-187°C and is stable under normal conditions.

How is 3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2) typically synthesized?

3-Bromo-1-(phenylsulfonyl)-1H-indole is typically synthesized via a multi-step process. The first step involves the bromination of indole, followed by the coupling with phenylsulfonyl chloride in the presence of a base. Commonly used catalysts include pyridine and 4-dimethylaminopyridine (DMAP). The yield of the final product can be around 70-80%, with good selectivity towards the desired product.

What industries use 3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2)?

3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2) is primarily used in the pharmaceutical industry for the synthesis of various bioactive molecules. It has potential applications in the development of new drugs targeting specific biological pathways. Additionally, it may have applications in the polymer industry for the modification of polymer properties.

What precautions should be taken when handling 3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2)?

When handling 3-Bromo-1-(phenylsulfonyl)-1H-indole (CAS: 99655-68-2), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions.