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Sigma-Aldrich

2-Hydroxybenzothiazole

98%

Synonym(s):

2(3H)-Benzothiazolone

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About This Item

Empirical Formula (Hill Notation):
C7H5NOS
CAS Number:
934-34-9
Molecular Weight:
151.19
EC Number:
213-281-1
MDL number:
MFCD00022868
UNSPSC Code:
12352100
PubChem Substance ID:
24865467
NACRES:
NA.22

Quality Level

200

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.

Pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Structural and energetic characterization of the tautomers 2-benzothiazolinone and 2-hydroxybenzothiazole.
Silva ALR, et al.
Journal of Molecular Structure, 1078, 197-206 (2014)
Influence of molecular electronic properties on the IR spectra of dimeric hydrogen bond systems: polarized spectra of 2-hydroxybenzothiazole and 2-mercaptobenzothiazole crystals.
Flakus HT, et al.
Journal of Molecular Structure, 604(1), 29-44 (2002)
Georgia Gatidou et al.
Chemosphere, 241, 125071-125071 (2019-11-07)
The ready biodegradability of twenty food additives, belonging to the classes of artificial sweeteners, natural sweeteners, preservatives and colorings, was investigated using activated sludge as inoculum and OECD 301F respirometric test. According to the results, saccharin, aspartame, sodium cyclamate, xylitol
Electropolymerization of 2-hydroxybenzothiazole (2-OHBT) in water-methanol media: electrochemical behaviour in NaCl (3%) solution.
Perrin FX, et al.
J. Appl. Electrochem., 27(7), 821-830 (1997)
Ping Jiang et al.
Water research, 188, 116542-116542 (2020-11-01)
Comprehensive identification of byproducts including intermediate transformation products (TPs) of micropollutants in source water is challenging and paramount for assessment of drinking water quality and treatment technologies. Here, we have developed a nontargeted analysis strategy coupled with computational toxicity assessment
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