Introduction：Basic information about CAS 555-21-5|4-Nitrophenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Nitrophenylacetonitrile |
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| CAS Number | 555-21-5 | Molecular Weight | 162.145 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 336.3±17.0 °C at 760 mmHg |
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| Molecular Formula | C8H6N2O2 | Melting Point | 113-115 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 157.2±20.9 °C |
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Names
| Name | 4-Nitrophenylacetonitrile |
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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 | 336.3±17.0 °C at 760 mmHg |
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| Melting Point | 113-115 °C(lit.) |
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| Molecular Formula | C8H6N2O2 |
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| Molecular Weight | 162.145 |
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| Flash Point | 157.2±20.9 °C |
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| Exact Mass | 162.042923 |
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| PSA | 69.61000 |
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| LogP | 1.18 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.577 |
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| InChIKey | PXNJGLAVKOXITN-UHFFFAOYSA-N |
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| SMILES | N#CCc1ccc([N+](=O)[O-])cc1 |
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| Water Solubility | INSOLUBLE |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM1250000
- CHEMICAL NAME :
- Acetonitrile, (p-nitrophenyl)-
- CAS REGISTRY NUMBER :
- 555-21-5
- BEILSTEIN REFERENCE NO. :
- 0388442
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C8-H6-N2-O2
- MOLECULAR WEIGHT :
- 162.16
- WISWESSER LINE NOTATION :
- WNR D1CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 47 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 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#02093
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Safety Information
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S14-S22-S36/37 |
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| RIDADR | 3439 |
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| WGK Germany | 3 |
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| RTECS | AM1250000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 29269095 |
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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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Articles1
More Articles
| 445. The kinetics of some fast reactions of 4-nitrobenzyl cyanide in solution at –77°. Caldin EF and Harbron E. J. Chem. Soc. , 2314-2319, (1962)
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Synonyms
| EINECS 209-085-0 |
| (p-nitrophenyl)acetonitrile |
| Benzeneacetonitrile, 4-nitro- |
| MFCD00007372 |
| p-Nitrophenylacetonitrile |
| 4-Nitrophenylacetonitrile |
| (4-Nitrophenyl)acetonitrile |
