4-Methoxy-1,3-benzothiazol-2(3H)-one

Basic Information

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CAS Number

80567-66-4

Molecular Formula

C8H7NO2S

Molecular Weight

181.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Density

1.346

Refractive Index

1.624

SMILES

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COC1=C2C(=CC=C1)SC(=O)N2

InChI

InChI=1S/C8H7NO2S/c1-11-5-3-2-4-6-7(5)9-8(10)12-6/h2-4H,1H3,(H,9,10)

InChIKey

BOKIESUSRKISCV-UHFFFAOYSA-N

LogP

1.5982

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

198

Safety Information

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Hazard Statement

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

BOKIESUSRKISCV-UHFFFAOYSA-N
4-Methoxy-2(3H)-benzothiazolone
4-methoxy-3H-1,3-benzothiazol-2-one
AMY15264
1-(AMMONIOOXY)PROPANECHLORIDE
4-Methoxybenzo[d]thiazol-2(3H)-one
A839950
SY059305
FT-0652967
DS-1116
CS-0019318
FS-3156
DTXSID40509446
4-Methoxybenzo[d]thiazol-2-ol
MFCD09748564
4-methoxy-3H-1,3-benzothiazol-2-one;4-Methoxybenzo[d]thiazol-2(3H)-one
AKOS006290974
80567-66-4
AC-31696
2-hydroxy-4-methoxybenzothiazole, AldrichCPR
4-methoxy-1,3-benzothiazol-2(3H)-one
4-methoxy-2,3-dihydro-1,3-benzothiazol-2-one
SCHEMBL5121204
BEN037
4-methoxybenzo d thiazol-2(3H)-one
4-Methoxy-3H-benzothiazol-2-one
2(3H)-Benzothiazolone, 4-methoxy-
PubChem21842
2-Hydroxy-4-methoxybenzothiazole
2(3H)-Benzothiazolone,4-methoxy-
FCH861522

MDL Number

MFCD09748564

Customs Code

2934200090

FAQ

What are the physical and chemical properties of 4-Methoxy-1,3-benzothiazol-2(3H)-one (CAS: 80567-66-4)?

4-Methoxy-1,3-benzothiazol-2(3H)-one is a crystalline compound with a molecular weight of approximately 243.26 g/mol. It has low water solubility and good solubility in organic solvents. This compound is known for its stability and low reactivity under normal conditions, but can undergo hydrolysis in the presence of strong acids or bases.

How is 4-Methoxy-1,3-benzothiazol-2(3H)-one (CAS: 80567-66-4) typically synthesized?

4-Methoxy-1,3-benzothiazol-2(3H)-one can be synthesized via the condensation of benzothiazole and methanol in the presence of a suitable catalyst. Common methods include using acetic acid or p-toluenesulfonic acid as a catalyst, with a yield of around 80-90%. The reaction is typically carried out under mild conditions to ensure high selectivity.

What industries use 4-Methoxy-1,3-benzothiazol-2(3H)-one (CAS: 80567-66-4)?

4-Methoxy-1,3-benzothiazol-2(3H)-one is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the polymer industry for the development of new materials, and in the sensor industry for its sensing capabilities. Additionally, it can be used in the semiconductor industry as a cleaning agent.

What precautions should be taken when handling 4-Methoxy-1,3-benzothiazol-2(3H)-one (CAS: 80567-66-4)?

When handling 4-Methoxy-1,3-benzothiazol-2(3H)-one, appropriate personal protective equipment (PPE) should be used, including gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be carefully cleaned up using appropriate methods, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for specific safety information and guidelines.