| 1-Phenyltetrazole-5-thiol Basic information |
| Product Name: | 1-Phenyltetrazole-5-thiol |
| Synonyms: | 1-PHENYL-1H-TETRAZOLE-5-THIOL*PHOTOGRAPH IC GRADE;Phenyl-5-Mercapto-1H-Tetrazole;1-PHENYL-5-MERCAPATO-1H-TETRAZOLE;1-Phenyl-5-mercapto;5H-TETRAZOLE-5-THIONE,1,2-DIHYDRO-1-PHENYL-(9CI);1-Phenyl-1H-tetrazol-5-thiol;1-Phenyl-5-mercaptotetrazole, 1-Phenyltetrazoline-5-thione, 5-Mercapto-1-phenyltetrazole;1-Phenyl-1H-tetrazole-5-thiol ,99% |
| CAS: | 86-93-1 |
| MF: | C7H6N4S |
| MW: | 178.21 |
| EINECS: | 201-710-5 |
| Product Categories: | FINE Chemical & INTERMEDIATES;bc0001 |
| Mol File: | 86-93-1.mol |
| 1-Phenyltetrazole-5-thiol Chemical Properties |
| Melting point | 145 °C (dec.)(lit.) |
| Boiling point | 342°C (rough estimate) |
| density | 1.3046 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| Fp | 138°C |
| storage temp. | Store at +15°C to +25°C. |
| solubility | ethanol: soluble5%, clear, colorless to faintly yellow |
| pka | -3.85±0.20(Predicted) |
| form | Solid |
| color | White to Off-White |
| PH | 3-5 (H2O, 20℃)suspension |
| Water Solubility | Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol. |
| Sensitive | Air Sensitive |
| BRN | 139068 |
| InChIKey | GGZHVNZHFYCSEV-UHFFFAOYSA-N |
| CAS DataBase Reference | 86-93-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-tetrazole-5-thiol, 1-phenyl-(86-93-1) |
| EPA Substance Registry System | 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl- (86-93-1) |
| Safety Information |
| Hazard Codes | Xn,F |
| Risk Statements | 5-22-2017/5/22 |
| Safety Statements | 22-24/25 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 1 |
| RTECS | XF7700000 |
| F | 4.10 |
| Hazard Note | Flammable |
| TSCA | Yes |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 29339990 |
| MSDS Information |
| Provider | Language |
|---|---|
| 1-Phenyltetrazole-5-thiol | English |
| SigmaAldrich | English |
| ALFA | English |
| 1-Phenyltetrazole-5-thiol Usage And Synthesis |
| Chemical Properties | white fluffy or crystalline powder or crystals |
| Uses | 1-Phenyl-1H-tetrazole-5-thiol is used as a corrosion inhibitor and as a reagent in the synthesis of Microcarpalide, a microfilament disrupting agent that is weakly cytotoxic to mammalian cells. |
| Synthesis Reference(s) | Canadian Journal of Chemistry, 44, p. 2315, 1966 DOI: 10.1139/v66-347 |
| Purification Methods | Purify the tetrazole by recrystallisation from EtOH or CHCl3 (m 152o) [Tautomerism: Kauer & Sheppard J Org Chem 32 3580 1967, UV: Leiber et al. Can J Chem 37 563 1959]. The ammonium salt crystallises from EtOH and decomposes at 176o. The sodium salt crystallises from EtOH/*C6H6, melts at 96o and decomposes at 145o [Stollé J Prakt Chem [2] 133 60 1932]. It is used for the determination of Bi and Pd. [Fresenius Z Anal Chem 261 151 1972, Beilstein 26 III/IV 2065.] |
| 1-Phenyltetrazole-5-thiol Preparation Products And Raw materials |
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