Introduction：Basic information about CAS 3004-42-0|5-Phenyl-1,3,4-oxadiazole-2(3H)-thione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione |
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| CAS Number | 3004-42-0 | Molecular Weight | 178.211 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 306.9±25.0 °C at 760 mmHg |
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| Molecular Formula | C8H6N2OS | Melting Point | 219-222 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 139.4±23.2 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 5-phenyl-3H-1,3,4-oxadiazole-2-thione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 306.9±25.0 °C at 760 mmHg |
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| Melting Point | 219-222 °C(lit.) |
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| Molecular Formula | C8H6N2OS |
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| Molecular Weight | 178.211 |
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| Flash Point | 139.4±23.2 °C |
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| Exact Mass | 178.020081 |
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| PSA | 73.91000 |
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| LogP | 2.87 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.612 |
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| InChIKey | FOHWXVBZGSVUGO-UHFFFAOYSA-N |
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| SMILES | S=c1[nH]nc(-c2ccccc2)o1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RO0829900
- CHEMICAL NAME :
- 1,3,4-Oxadiazole-5-thiol, 2-phenyl-
- CAS REGISTRY NUMBER :
- 3004-42-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H6-N2-O-S
- MOLECULAR WEIGHT :
- 178.22
- WISWESSER LINE NOTATION :
- T5NN DOJ CR& ESH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 387 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,629,1958
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | RO0829900 |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 2-mercapto-5-phenyl-1,3,4-oxodiazole |
| MFCD02816988 |
| 2-phenyl-5-mercapto-1,3,4-oxadiazole |
| 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione |
| 2-Phenyl-1,3,4-oxadiazole-5-thiol |
| 1,3,4-oxadiazole-2-thiol,5-phenyl |
| EINECS 221-103-9 |
| 5-Phenyl-1,3,4-oxadiazole-2-thiol |
| 2-Mercapto-5-phenyl-1,3,4-oxadiazole |
| 5-phenyl-1,3,4-oxadiazol-2-thione |
| 2-metcapto-5-phenyl-1,3,4-oxadiazole |
| 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl- |
