4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine

Basic Information

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CAS Number

889939-26-8

Molecular Formula

C13H8BrIN2O2S

Molecular Weight

463.09 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

572.2°C at 760 mmHg

Density

2.083

Flash Point

572.196 °C at 760 mmHg

Refractive Index

1.763

SMILES

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C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)Br)I

InChI

InChI=1S/C13H8BrIN2O2S/c14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9/h1-8H

InChIKey

JVCKOYFZXMUSEY-UHFFFAOYSA-N

LogP

3.6404000000000014

Topological Polar Surface Area

51.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

450

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

4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine,4-bromo-2-iodo-1-(phenylsulfonyl)-
1-Benzenesulfonyl-4-bromo-2-iodo-7-azaindole
4-BROMO-2-IODO-(PHENYLSULFONYL)-7-AZAINDOLE
4-BROMO-2-IODO-1-BENZENSULFONYL-7-AZAINDOLE
1-(Phenylsulfonyl)-4-bromo-2-iodo-7-azaindole
1-(benzenesulfonyl)-4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine
1-(PHENYLSULPHONYL)-4-BROMO-2-IODO-7-AZAINDOLE
JVCKOYFZXMUSEY-UHFFFAOYSA-N
BCP14334
4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (ACI)
1-(Benzenesulfonyl)-4-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine
1-(Benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine
4-Bromo-2-iodo-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine
EN300-264219
PB20250
4-bromo-2-iodo-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine
SY057010
MFCD08443802
DS-2273
SCHEMBL4308888
889939-26-8
AKOS016001724
CS-B0586
DB-008378
DTXSID70677203
4-BROMO-2-IODO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE

MDL Number

MFCD08443802

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8)?

4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8) is a crystalline solid with a molecular weight of approximately 484.21 g/mol. It has low water solubility and is slightly soluble in organic solvents like DMSO. Chemically, it is highly reactive, particularly towards nucleophiles. It is stable under normal conditions but should be stored in a dry, cool place away from moisture and heat.

How is 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8) typically synthesized?

4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8) is typically synthesized via a multi-step process involving bromination and iodination of 1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine. The synthesis involves the use of appropriate halogenating agents and can be carried out with high selectivity and good yield under anhydrous conditions.

What industries use 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8)?

4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8) is primarily used in the pharmaceutical industry for the development of new drugs. It also has potential applications in the polymer and semiconductor industries, particularly in the development of functional materials with unique electronic properties.

What precautions should be taken when handling 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8)?

When handling 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine (CAS: 889939-26-8), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated fume hood to minimize exposure. Avoid contact with water and heat. Follow proper spill procedures and handle waste according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions.