| Identification | More | [Name]
2-Benzothiazolol | [CAS]
934-34-9 | [Synonyms]
1,3-BENZOTHIAZOL-2-OL
2(3H)-BENZOTHIAZOLONE
2-BENZOTHIAZOLINONE
2-BENZOTHIAZOLOL
2-HYDROXYBENZOTHIAZOL
2-HYDROXYBENZOTHIAZOLE
3H-BENZOTHIAZOL-2-ONE
BENZOTHIAZOLONE
IFLAB-BB F0918-5160
TIMTEC-BB SBB005792
1,3-Benzothiazol-2(3H)-one
2-Benzothiazolone
Benzothiazol, 2-hydroxy-
Carbamothioic acid, (2-mercatophenyl)-, gamma-lactone
benzothiazol-2(3H)-one
2-Hydroxybenzothiazole,98%
HYDROXYBENZOTHIAZOLE
2(3H)-Benzothiazolone(9CI)
2-Hydroxybenzothiazole, HPLC 97%
2-BENZOTHIAZOL | [EINECS(EC#)]
213-281-1 | [Molecular Formula]
C7H5NOS | [MDL Number]
MFCD00792539 | [Molecular Weight]
151.19 | [MOL File]
934-34-9.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to light brown crystalline powder | [Melting point ]
137-140 °C (lit.) | [Boiling point ]
360°C (rough estimate) | [density ]
1.2170 (rough estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly, Sonicated), DMSO (Slightly) | [form ]
Solid | [pka]
10.41±0.20(Predicted) | [color ]
White to Off-White | [InChI]
1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) | [InChIKey]
YEDUAINPPJYDJZ-UHFFFAOYSA-N | [SMILES]
Oc1nc2ccccc2s1 | [LogP]
1.760 | [CAS DataBase Reference]
934-34-9(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Benzothiazolol (keto form)(934-34-9) | [EPA Substance Registry System]
934-34-9(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29061990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to light brown crystalline powder | [Uses]
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. | [Definition]
ChEBI: Benzothiazole substituted with a hydroxy group at the 2-position. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 72, p. 4890, 1950 DOI: 10.1021/ja01167a011 | [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. | [Purification Methods]
Crystallise it from aqueous EtOH or water. [Hoggarth J Chem Soc 3314 1949, Hunter J Chem Soc 135 1930, Beilstein 27 H 182, 27 I 270, 27 II 225, 27 III/IV 2693.] |
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