Introduction：Basic information about CAS 18039-42-4|5-Phenyl-1H-tetrazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Phenyl-1H-tetrazole |
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| CAS Number | 18039-42-4 | Molecular Weight | 146.149 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 330.5±25.0 °C at 760 mmHg |
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| Molecular Formula | C7H6N4 | Melting Point | 216 °C (dec.)(lit.) |
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| MSDS | / | Flash Point | 161.3±16.1 °C |
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Names
| Name | 5-Phenyltetrazole |
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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 | 330.5±25.0 °C at 760 mmHg |
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| Melting Point | 216 °C (dec.)(lit.) |
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| Molecular Formula | C7H6N4 |
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| Molecular Weight | 146.149 |
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| Flash Point | 161.3±16.1 °C |
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| Exact Mass | 146.059250 |
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| PSA | 54.46000 |
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| LogP | 1.65 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.619 |
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| InChIKey | MARUHZGHZWCEQU-UHFFFAOYSA-N |
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| SMILES | c1ccc(-c2nn[nH]n2)cc1 |
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| Storage condition | Flammables area |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XF7538750
- CHEMICAL NAME :
- 1H-Tetrazole, 5-phenyl-
- CAS REGISTRY NUMBER :
- 18039-42-4
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C7-H6-N4
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1901 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 890 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570992 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3890 mg/kg/10D-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - hemorrhage
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570992
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Safety Information
| Hazard Codes | F:Flammable |
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| Risk Phrases | R11;R22;R44 |
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| Safety Phrases | S36-S37/39-S26-S16 |
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| WGK Germany | 3 |
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| RTECS | XF7538750 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 5-PHENYTETRAZOLE |
| 5-phenyl-2H-tetraazole |
| 5-phenyl-1H-1,2,3,4-tetrazole |
| 5-Ph-1H-tetrazole |
| EINECS 241-950-8 |
| expandexox5pt |
| (1H-tetrazol-5-yl)benzene |
| kempore50xpt |
| 5-Phenyl-1H-tetrazole |
| 5-phenyl-tetrazol |
| 5-phenyl-tetrazole |
| expandex5pt |
| MFCD01451271 |
| 2H-Tetrazole, 5-phenyl- |
| MA 1623 |
| phenyltetrazole |
| 5-phenyl-1,2,3,4-tetrazole |
