3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide

Basic Information

View in Editor

CAS Number

27605-76-1

Molecular Formula

C10H9NO3S

Molecular Weight

223.25 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

Melting Point

138-139°C

Boiling Point

220°C (rough estimate)

Refractive Index

1.6500 (estimate)

SMILES

View in Editor

C=CCOC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2

InChIKey

WHHIPMZEDGBUCC-UHFFFAOYSA-N

LogP

1.3381

Topological Polar Surface Area

55.73 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

380

Safety Information

View Safety Information

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

3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
3-(2-Propenyloxy)-1,2-benzisothiazole 1,1-dioxide
AKOS015917662
WHHIPMZEDGBUCC-UHFFFAOYSA-N
Oryzaemate
CBA60576
1,2-Benzisothiazole, 3-(allyloxy)-, 1,1-dioxide
PO-20
PO20
1,2-Benzisothiazole, 3-(2-propen-1-yloxy)-, 1,1-dioxide
AS-16095
3-allyloxy-1,2-benz[d]isothiazole 1,1-dioxide
Probenazole, PESTANAL(R), analytical standard
CHEBI:81778
NS00002007
Q11336142
C18483
SCHEMBL23516
3-(Allyloxy)benzo[d]isothiazole 1,1-dioxide
Probenazole
PROBENAZOL
FT-0630535
3-(allyloxy)-1,2-benzothiazole 1,1-dioxide
P2802
CHEMBL2287211
1,2-Benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide
DTXSID7058048
FGB5BLX49H
Oryzemate
UNII-FGB5BLX49H
MFCD00274602

MDL Number

MFCD00274602

Customs Code

2934200013

FAQ

What are the physical and chemical properties of 3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1)?

3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1) is a solid with a crystalline form. It has a molecular weight of approximately 260.26 g/mol and is slightly soluble in common organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly towards nucleophilic substitution and oxidation reactions.

How is 3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1) typically synthesized?

3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide is typically synthesized through the reaction of 1,2-benzothiazole with allyl bromide followed by oxidation using a suitable oxidizing agent like Dess-Martin periodinane. The reaction involves the introduction of an allyl group and subsequent oxidation to form the 1,1-dioxide structure.

What industries use 3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1)?

3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1) is used in various industries, including pharmaceuticals for its potential as an intermediate in drug synthesis, and in the polymer industry for its ability to enhance the performance of certain polymers. It also has applications in sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1)?

When handling 3-(Allyloxy)-1,2-benzothiazole 1,1-dioxide (CAS: 27605-76-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated environment or a fume hood to minimize exposure. In case of spills, dispose of materials in accordance with local regulations and consult the Material Safety Data Sheet (MSDS) for specific disposal instructions.