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| CAS No.: | 4360-47-8 |
|---|---|
| Name: | CINNAMONITRILE |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7 N |
| Molecular Weight: | 129.161 |
| Synonyms: | Cinnamonitrile(6CI,8CI); 1-Cyano-2-phenylethene; 1-Cyano-2-phenylethylene;3-Phenyl-2-propenenitrile; 3-Phenylacrylonitrile; 3-Phenylpropenenitrile; NSC42118; NSC 49137; Styryl cyanide; b-Cyanostyrene; b-Phenylacrylonitrile |
| EINECS: | 217-552-5 |
| Density: | 1.028 g/mL at 25 ºC(lit.) |
| Melting Point: | 18-20 ºC |
| Boiling Point: | 254-255 ºC |
| Flash Point: | >230 ºF |
| Solubility: | insoluble |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | Poison by subcutaneous and intravenous routes. Mildly toxic by ingestion. A skin irritant. See also NITRILES. When heated to decomposition it emits toxic fumes of NOx and CN−. |
| PSA: | 23.79000 |
| LogP: | 2.22338 |
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Chemistry
Molecular Formula: C9H7N
Molar mass: 129.16 g/mol
EINECS: 217-552-5
Density: 1.043 g/cm3
Flash Point: 105.2 °C
Index of Refraction: 1.594
Boiling Point: 263.8 °C at 760 mmHg
Vapour Pressure: 0.0101 mmHg at 25°C
Melting point: 18-20 °C(lit.)
Product categories: Pharmaceutical Intermediates
Structure of Cinnamonitrile (4360-47-81):
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: (E)-3-phenylprop-2-enenitrile
SMILES: N#C\C=C\c1ccccc1
InChI: InChI=1/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
InChIKey: ZWKNLRXFUTWSOY-QPJJXVBHBI
Std. InChI: InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
Std. InChIKey: ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 14 (1976),659. | ||
| 2. | orl-rat LD50:4150 mg/kg | FCTXAV Food and Cosmetics Toxicology. 14 (1976),659. | ||
| 3. | ivn-rbt LDLo:34 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895. | ||
| 4. | scu-gpg LDLo:130 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895. |
Carcinogenicity of Cinnamonitrile (4360-47-81) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.
Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.
Safety Profile
Poison by subcutaneous and intravenous routes. Mildly toxic by ingestion. A skin irritant. See also NITRILES. When heated to decomposition it emits toxic fumes of NOx and CN−.
Hazard Codes: Xi.gif)
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Specification
Cinnamonitrile (4360-47-81) also can be called trans-3-Phenyl-2-propenenitrile ; (2E)-3-phenylacrylonitrile ; (E)-Cinnamonitrile ; 2-Propenenitrile, 3-phenyl-, (E)- ;and (E)-3-Phenylacrylonitrile .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, Cinnamonitrile (4360-47-81) is not compatible with strong oxidizing agents, and you must not take it with incompatible materials.And also prevent it to broken down into hazardous decomposition products: hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.