407607
2-Hydroxybenzothiazole
98%
Synonym(s):
2(3H)-Benzothiazolone
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Quality Level
Assay
98%
mp
137-140 °C (lit.)
SMILES string
Oc1nc2ccccc2s1
InChI
1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChI key
YEDUAINPPJYDJZ-UHFFFAOYSA-N
General description
2-Hydroxybenzothiazole (2-OHBT) is a 2-substituted benzothiazole. It is a tautomer of 2-benzothiazolinone. Its enthalpy of formation in the gas phase has been determined using high-level ab initio molecular orbital calculations at the G3(MP2)//B3LYP level of theory. Polarized IR spectra of the hydrogen-bonded molecular crystals of 2-OHBT have been studied. Oxidation of 2-OHBT using H2O2/UV and iron(III) photoassisted Fenton techniques have been reported. 2-OHBT is released into wastewaters during the industrial production of 2-mercaptobenzothiazole, a rubber vulcanization accelerator. The anodic oxidation of 2-OHBT on copper, iron and platinum in alcohol and alcohol-water solutions by cyclic polarization and chronoamperometry has been reported.
Application
2-Hydroxybenzothiazole may be employed as carbon, nitrogen and energy supplement in the bacterial cultures. It may be used in the preparation of insulating thin polymer (<0.1μm), via electropolymerization.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
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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Electropolymerization of 2-hydroxybenzothiazole (2-OHBT) in water-methanol media: electrochemical behaviour in NaCl (3%) solution.
J. Appl. Electrochem., 27(7), 821-830 (1997)
Influence of molecular electronic properties on the IR spectra of dimeric hydrogen bond systems: polarized spectra of 2-hydroxybenzothiazole and 2-mercaptobenzothiazole crystals.
Journal of Molecular Structure, 604(1), 29-44 (2002)
Structural and energetic characterization of the tautomers 2-benzothiazolinone and 2-hydroxybenzothiazole.
Journal of Molecular Structure, 1078, 197-206 (2014)
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Benzotriazoles (BTRs) and benzothiazoles (BTs) are two groups of emerging concern and high production volume contaminants. Via the biomagnification of the food web, they could jeopardize human health. In this work, rapid determining the presence of five BTRs and two
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