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CS-W001157 4
Total: USD 88.00

Benzothiazolone

  • CAS No. 934-34-9

  • Cat. No. CS-W019496
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Benzothiazolone|CS-W019496

Structure of 934-34-9

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General Information

  • CAS No. 934-34-9
  • Cat. No. CS-W019496
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NOS
  • Molecular Weight 151.19
  • Synonym(s) Carbamothioic acid, (2-mercatophenyl)-, gamma-lactone
  • SMILES C1=CC=CC2=C1NC(S2)=O

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.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 (<0.1m), via electropolymerization.

Synthesis

  • Route1
    • In-stock
      2-Iodoaniline|CS-W007318
      615-43-0
    • null|null
      68-12-2
    • ~77%
    • In-stock
      Benzothiazolone|CS-W019496
      934-34-9

    References

    • Yang, Yuan; Zhang, Xiaoyun; Zeng, Weilan; Huang, Hui; Liang, Yun RSC Advances, 2014 , vol. 4, # 12 p. 6090 - 6093
  • Route2
    • null|null
      134306-70-0
    • ~0%
    • In-stock
      Benzothiazolone|CS-W019496
      934-34-9
    • Triphenylphosphine selenide|CS-0085888
      3878-44-2
    • null|null
      134306-73-3

    References

    • Shibata, Koichi; Mitsunobu, Oyo Bulletin of the Chemical Society of Japan, 1992 , vol. 65, # 11 p. 3163 - 3173
  • Route3
    • null|null
      134306-68-6
    • ~0%
    • In-stock
      Benzothiazolone|CS-W019496
      934-34-9
    • null|null
      52713-62-9
    • Triphenylphosphine selenide|CS-0085888
      3878-44-2

    References

    • Shibata, Koichi; Mitsunobu, Oyo Bulletin of the Chemical Society of Japan, 1992 , vol. 65, # 11 p. 3163 - 3173

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   1.5896
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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