Introduction：Basic information about 2-Benzothiazolol CAS 934-34-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Benzothiazolol Basic information
| Product Name: | 2-Benzothiazolol |
| Synonyms: | 2(3H)-Benzothiazolone(9CI);2-Hydroxybenzothiazole, HPLC 97%;2-BENZOTHIAZOL;2-hydroxy benzothiazo1e;Benzo[d]thiazol-2(3H)-one;2-Hydroxy-1,3-benzothiazole 98%;2-Oxobenzothiazole;3H-1,3-Benzothiazol-2-one |
| CAS: | 934-34-9 |
| MF: | C7H5NOS |
| MW: | 151.19 |
| EINECS: | 213-281-1 |
| Product Categories: | pharmacetical;BENZOTHIAZOLE |
| Mol File: | 934-34-9.mol |
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2-Benzothiazolol Chemical Properties
| 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) |
| pka | 10.41±0.20(Predicted) |
| form | Solid |
| 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 | 2(3H)-Benzothiazolone (934-34-9) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29061990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
2-Benzothiazolol Usage And Synthesis
| 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.] |
2-Benzothiazolol Preparation Products And Raw materials
| Raw materials | PHOSGENE-->Nitrobenzene-->Molybdenum disulfide-->S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate-->2-Aminobenzenethiol-->1-Phenyltetrazole-5-thiol-->Carbamic acid, (2-iodophenyl)-, ethyl ester-->2,2'-Diaminodiphenyl disulphide-->Aniline-->carbon monoxide |
| Preparation Products | 3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE-->2(3H)-Benzothiazolone,6-acetyl-(9CI) |
