ChemicalBook--->CAS DataBase List--->934-34-9

934-34-9

934-34-9 Structure

934-34-9 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack Directory
[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
Raw materials And Preparation ProductsBack Directory
[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)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Hydroxybenzothiazole(934-34-9).msds
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Benzothiazolol(934-34-9)MS
2-Benzothiazolol(934-34-9)1HNMR
2-Benzothiazolol(934-34-9)13CNMR
2-Benzothiazolol(934-34-9)IR1
2-Benzothiazolol(934-34-9)IR2
2-Benzothiazolol(934-34-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Benzothiazolol, 95%(934-34-9)
[Alfa Aesar]

2-Hydroxybenzothiazole, 98%(934-34-9)
[Sigma Aldrich]

934-34-9(sigmaaldrich)
[TCI AMERICA]

2(3H)-Benzothiazolone,>98.0%(GC)(934-34-9)
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