7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one

Basic Information

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CAS Number

90814-91-8

Molecular Formula

C8H6BrNOS

Molecular Weight

244.11 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

212.0 to 216.0 deg-C

Boiling Point

397.2°Cat760mmHg

Density

1.689

Flash Point

194°C

Refractive Index

1.657

SMILES

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C1C(=O)NC2=C(S1)C=C(C=C2)Br

InChI

InChI=1S/C8H6BrNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)

InChIKey

MDFPWMKBRDOSGB-UHFFFAOYSA-N

LogP

2.4933000000000005

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

200

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

7-Bromo-2H-benzo[b][1,4]thiazin-3(4H)-one
7-Bromo-2H-1,4-benzothiazin-3(4H)-one
7-Bromo-2H-[1,4]-benzothiazin-3(4H)-one
2h-1,4-benzothiazin-3(4h)-one,7-bromo
7-bromo-(2H)-1,4-benzothiazin-3(4H)-one
7-bromo-2H,4H-benzo[e]1,4-thiazin-3-one
7-bromo-4H-benzo[1,4]thiazin-3-one
7-Bromo-3,4-dihydro-2H-1,4-benzothiazin-3-one
7-Bromo-2H-1,4-benzothiazin-3(4H)-one (ACI)
7-BROMO-2H-BENZO[B][1,4]THIAZIN-3(4H)-ONE
AN-829/42007423
7-bromo-2H-1,4-benzothiazin-3(4H)-one
MDFPWMKBRDOSGB-UHFFFAOYSA-N
7-Bromo-2H-[1,4]-benzothiazin-3(4H)-one, 97%
SY052824
AKOS015835981
AS-65255
90814-91-8
7-Bromo-3,4-Dihydro-2H-1,4-Benzothiazin-3-One
7-bromo- 4H-benzo[1,4]thiazin-3-one
STL267172
DTXSID80351027
7-BROMO-2H-(1 4)-BENZOTHIAZIN-3(4H)-ONE&
SCHEMBL299571
7-bromo-4H-1,4-benzothiazin-3-one
7-BROMO-2H-BENZOTHIAZIN-3(4H)-ONE
7-bromo-2h[1,4]-benzothiazin-3(4h)-one
CS-0094329
7-Bromo-2H[1,4]benzothiazin 3(4H)-one
7-bromo -4H-benzo[1,4]thiazin-3-one
7-Bromo-2H-[1,4] benzothiazin-3(4H)-one

MDL Number

MFCD02660583

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8)?

7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8) is a crystalline solid with a molecular weight of approximately 257.02 g/mol. It has a slight solubility in water and organic solvents like ethanol and acetone. The compound exhibits moderate reactivity under basic conditions and is stable under acidic conditions. It is a useful intermediate in organic synthesis and pharmaceutical research.

How is 7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8) typically synthesized?

7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8) can be synthesized via bromination of 2H-benzo[B][1,4]thiazin-3(4H)-one using N-bromosuccinimide (NBS) as the brominating agent. The reaction is typically carried out in a chloroform solution at room temperature, with a yield of around 70-75%. The process is selective and produces a high purity product.

What industries use 7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8)?

7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various bioactive compounds. It also finds applications in the polymer industry for the development of novel materials and in the sensor industry for the fabrication of gas sensors.

What precautions should be taken when handling 7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8)?

Proper handling of 7-Bromo-2H-benzo[B][1,4]thiazin-3(4H)-one (CAS: 90814-91-8) requires the use of personal protective equipment (PPE) such as lab coats, gloves, and safety glasses. The compound should be stored in a dry, cool place away from direct sunlight and heat sources. Spills should be handled with care using appropriate containment methods, and the material safety data sheet (MSDS) should be consulted for detailed guidelines.