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Key Documents

217077

Sigma-Aldrich

6-Hydroxy-1,3-benzoxathiol-2-one

≥98%

Synonym(s):

Tioxolone

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About This Item

Empirical Formula (Hill Notation):
C7H4O3S
CAS Number:
Molecular Weight:
168.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥98%

mp

158-160 °C (lit.)

solubility

95% ethanol: soluble 50 mg/mL, clear to very slightly hazy, colorless to yellow
benzene: soluble
diethyl ether: soluble
isopropanol: soluble
propylene glycol: soluble
toluene: soluble
water: insoluble

SMILES string

Oc1ccc2SC(=O)Oc2c1

InChI

1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H

InChI key

SLYPOVJCSQHITR-UHFFFAOYSA-N

General description

Antimicrobial and cytostatic properties of 6-hydroxy-1,3-benzoxathiol-2-one has been investigated. Supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one has been studied.

Application

6-Hydroxy-1,3-benzoxathiol-2-one was used in the synthesis of heterocycle-phosphor esters having potential antimicrobial activity.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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