Introduction:Basic information about CAS 4360-47-8|Cinnamonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Cinnamonitrile |
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| CAS Number | 4360-47-8 | Molecular Weight | 129.15900 |
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| Density | 1.028 g/mL at 25ºC(lit.) | Boiling Point | 254-255ºC |
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| Molecular Formula | C9H7N | Melting Point | 18-20ºC |
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| MSDS | / | Flash Point | >230 oF |
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Names
| Name | Cinnamonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.028 g/mL at 25ºC(lit.) |
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| Boiling Point | 254-255ºC |
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| Melting Point | 18-20ºC |
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| Molecular Formula | C9H7N |
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| Molecular Weight | 129.15900 |
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| Flash Point | >230 oF |
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| Exact Mass | 129.05800 |
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| PSA | 23.79000 |
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| LogP | 2.22338 |
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| Index of Refraction | n20/D 1.601(lit.) |
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| InChIKey | ZWKNLRXFUTWSOY-DAXSKMNVSA-N |
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| SMILES | N#CC=Cc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UD1440000
- CHEMICAL NAME :
- 2-Propenenitrile, 3-phenyl-
- CAS REGISTRY NUMBER :
- 4360-47-8
- BEILSTEIN REFERENCE NO. :
- 1209545
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C9-H7-N
- MOLECULAR WEIGHT :
- 129.17
- WISWESSER LINE NOTATION :
- NC1U1R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,721,1976 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,721,1976
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911
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Safety Information
| 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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| WGK Germany | 3 |
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| RTECS | UD1440000 |
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| Packaging Group | III |
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Synonyms
| 2-Propenenitrile,3-phenyl- |
| EINECS 224-441-5 |
| MFCD00001930 |