3,7-dibromo-10H-phenothiazine

Basic Information

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CAS Number

21667-32-3

Molecular Formula

C12H7Br2NS

Molecular Weight

357.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC2=C(C=C1Br)SC3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C12H7Br2NS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,15H

InChIKey

NVORBAXCWWFMSA-UHFFFAOYSA-N

LogP

5.419800000000002

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

239

Synonyms & References

English

10H-Phenothiazine, 3,7-dibromo-
3,7-dibromo-10H-phenothiazine
E85545
YSZC1537
STK094728
MFCD30531816
CS-0170220
SCHEMBL2582828
BS-51741
NVORBAXCWWFMSA-UHFFFAOYSA-N
DTXSID30393518
21667-32-3
3,7-dibromophenothiazine

MDL Number

MFCD30531816

FAQ

What are the physical and chemical properties of 3,7-dibromo-10H-phenothiazine (CAS: 21667-32-3)?

3,7-Dibromo-10H-phenothiazine (CAS: 21667-32-3) is a crystalline solid with a molecular weight of approximately 312.04 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol. Chemically, it is stable under normal conditions but can undergo ring-opening reactions under basic conditions. It is commonly used in the synthesis of pharmaceuticals and sensors.

How is 3,7-dibromo-10H-phenothiazine (CAS: 21667-32-3) typically synthesized?

3,7-Dibromo-10H-phenothiazine can be synthesized via a bromination process of phenothiazine, followed by a series of coupling reactions. Commonly, this involves reacting phenothiazine with bromine in the presence of a catalyst such as iron(III) bromide, achieving a high yield of the desired product.

What industries use 3,7-dibromo-10H-phenothiazine (CAS: 21667-32-3)?

3,7-Dibromo-10H-phenothiazine (CAS: 21667-32-3) is primarily used in the pharmaceutical industry for the development of new drugs and sensors. It is also utilized in the production of polymers and semiconductors for advanced electronics.

What precautions should be taken when handling 3,7-dibromo-10H-phenothiazine (CAS: 21667-32-3)?

When handling 3,7-dibromo-10H-phenothiazine, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate chemical spill kits. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.