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| | 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) |
| 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 |
| | 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. | | Definition | ChEBI: 1-Phenyl-5-mercaptotetrazole is a member of tetrazoles. | | 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 |
| Raw materials | Sodium azide-->Phenyl isothiocyanate-->S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate-->Chlorzoxazone-->1H-Tetrazole, 5-bromo-1-phenyl--->5-ANILINO-1,2,3,4-THIATRIAZOLE-->N-METHYL-2-DIMETHYLAMINOACETOHYDROXAMIC ACID-->4-PHENYL-3-THIOSEMICARBAZIDE-->5-CHLORO-1-PHENYL-1H-TETRAZOLE-->2-Amino-4-chlorophenol-->Aniline | | Preparation Products | Cefoperazone-->Cefazolin-->Cefazolin sodium salt-->2-Benzoxazolinone-->2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-one-->2-Hydroxybenzimidazole-->2-Benzothiazolol-->1,4-Benzenediol, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]- |
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