Introduction：Basic information about CAS 54711-21-6|5-Amino-4-cyano-3-(cyanomethyl)pyrazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Amino-4-cyano-3-(cyanomethyl)pyrazole |
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| CAS Number | 54711-21-6 | Molecular Weight | 147.13700 |
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| Density | 1.43 g/cm3 | Boiling Point | 520.9ºC at 760 mmHg |
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| Molecular Formula | C6H5N5 | Melting Point | 198-200°C |
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| MSDS | / | Flash Point | 268.8ºC |
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Names
| Name | 5-Amino-4-cyano-3-(cyanomethyl)pyrazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.43 g/cm3 |
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| Boiling Point | 520.9ºC at 760 mmHg |
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| Melting Point | 198-200°C |
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| Molecular Formula | C6H5N5 |
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| Molecular Weight | 147.13700 |
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| Flash Point | 268.8ºC |
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| Exact Mass | 147.05400 |
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| PSA | 102.28000 |
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| LogP | 0.51086 |
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| Index of Refraction | 1.617 |
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| InChIKey | GSXISOIYTHIBLC-UHFFFAOYSA-N |
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| SMILES | N#CCc1[nH]nc(N)c1C#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UQ6250000
- CHEMICAL NAME :
- 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-
- CAS REGISTRY NUMBER :
- 54711-21-6
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C6-H5-N5
- MOLECULAR WEIGHT :
- 147.16
- WISWESSER LINE NOTATION :
- T5MNJ C1CN DCN EZ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00798
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R23/24/25 |
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| Safety Phrases | S26-S36 |
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| RIDADR | 3276 |
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| HS Code | 2933199090 |
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Customs
| HS Code | 2933199090 |
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| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| EINECS 259-299-3 |
| 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile |
| MFCD00022387 |
