2H-1,4-Benzothiazin-3(4H)-one

2H-1,4-Benzothiazin-3(4H)-one - Names and Identifiers

Name	2H-1,4-Benzothiazin-3(4H)-one
Synonyms	BenzothiazinHone 4H-1,4-benzothiazin-3-one 2H-1,4-Benzothiazine-3-ol 1,4-Benzothiazin-3(4H)-one 2H-1,4-Benzothiazin-3(4H)-one (2H)1,4-BENZOTHIAZIN-3(4H)-ONE (2H)1,4-Benzothiazin-3(4H)-one 3,4-Dihydro-2H-1,4-benzothiazin-3-one 3,4-Dihydro-2H-1,4-benzothiazine-3-one diethyl (acetylamino)(2-chlorobenzyl)propanedioate
CAS	5325-20-2
EINECS	226-197-5
InChI	InChI=1/C16H20ClNO5/c1-4-22-14(20)16(18-11(3)19,15(21)23-5-2)10-12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3,(H,18,19)

2H-1,4-Benzothiazin-3(4H)-one - Physico-chemical Properties

Molecular Formula	C8H7NOS
Molar Mass	165.21
Density	1.1979 (rough estimate)
Melting Point	176-178°C(lit.)
Boling Point	272.25°C (rough estimate)
Flash Point	241.2°C
Vapor Presure	3.36E-09mmHg at 25°C
BRN	131642
pKa	12.90±0.20(Predicted)
Storage Condition	2-8°C
Refractive Index	1.6458 (estimate)
MDL	MFCD00006698

2H-1,4-Benzothiazin-3(4H)-one - Risk and Safety

Hazard Symbols	Xi - Irritant
Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3
Hazard Note	Irritant

2H-1,4-Benzothiazin-3(4H)-one - Introduction

2H-1,4-Benzothiazin-3(4H)-one is an organic compound whose chemical formula is C7H5NOS. The following is a detailed description of its nature, use, formulation and safety information:

Nature:
2H-1,4-Benzothiazin-3(4H)-one is a white crystal or crystalline powder with a strong odor of benzethione. It is poorly soluble in water, but is soluble in organic solvents. The compounds are typically stored and used in solid form.

Use:
2H-1,4-Benzothiazin-3(4H)-one is an important intermediate compound, which has a wide range of applications in the field of drug synthesis. It is used to synthesize a number of biologically active compounds, including anti-tuberculosis drugs. In addition, it can also be used to prepare compounds with antibacterial and antiviral activity.

Preparation Method:
The method for preparing 2H-1,4-Benzothiazin-3(4H)-one usually includes reacting thiophenone and sulfuryl chloride under alkaline conditions. The specific steps may be adjusted according to the specific direction of the research, but the basic principle of the reaction is to synthesize the target compound by the condensation reaction of thionyl chloride and thiophenone.

Safety Information:
2H-1,4-Benzothiazin-3(4H)-one needs to follow the corresponding laboratory safety procedures when operating. Because it has a pungent odor, attention should be paid to proper ventilation conditions and avoid inhalation. In addition, contact with skin or eyes should be washed immediately with plenty of water, and if necessary, seek medical help. For additional safety information and operating instructions, refer to the relevant safety data sheets or consult a professional.

Last Update：2024-04-09 21:04:16