Introduction：Basic information about CAS 3456-75-5|5-FLUORO-2-NITROPHENYLACETONITRILE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-FLUORO-2-NITROPHENYLACETONITRILE |
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| CAS Number | 3456-75-5 | Molecular Weight | 180.13600 |
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| Density | 1.367g/cm3 | Boiling Point | 303.6ºC at 760mmHg |
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| Molecular Formula | C8H5FN2O2 | Melting Point | 70-72ºC |
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| MSDS | / | Flash Point | 137.4ºC |
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Names
| Name | 2-(5-fluoro-2-nitrophenyl)acetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.367g/cm3 |
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| Boiling Point | 303.6ºC at 760mmHg |
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| Melting Point | 70-72ºC |
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| Molecular Formula | C8H5FN2O2 |
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| Molecular Weight | 180.13600 |
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| Flash Point | 137.4ºC |
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| Exact Mass | 180.03400 |
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| PSA | 69.61000 |
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| LogP | 2.32318 |
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| Index of Refraction | 1.554 |
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| InChIKey | YETOJTGGLXHUCS-UHFFFAOYSA-N |
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| SMILES | N#CCc1cc(F)ccc1[N+](=O)[O-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM0200000
- CHEMICAL NAME :
- Acetonitrile, 2-(5-fluoro-2-nitrophenyl)-
- CAS REGISTRY NUMBER :
- 3456-75-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H5-F-N2-O2
- MOLECULAR WEIGHT :
- 180.15
- WISWESSER LINE NOTATION :
- WNR DF B1CN
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#04784
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Safety Information
| RIDADR | UN3439 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Acetonitrile,(5-fluoro-2-nitrophenyl) |
| 5-Fluoro-2-nitrophenylacetonitrile |
| ACETONITRILE,2-(5-FLUORO-2-NITROPHENYL) |
| AmbkkkkK707 |
| Benzeneacetonitrile,5-fluoro-2-nitro |
