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| CAS No.: | 77-57-6 |
|---|---|
| Name: | 1-Phenyl-1-cyclopentanecarbonitrile |
| Article Data: | 32 |
| Molecular Structure: | |
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|
|
| Formula: | C12H13 N |
| Molecular Weight: | 171.242 |
| Synonyms: | 1-Cyano-1-phenylcyclopentane;1-Phenylcyclopentanecarbonitrile;1-Phenylcyclopentanenitrile;NSC 18928; |
| EINECS: | 201-038-2 |
| Density: | 1.04 g/cm3 |
| Boiling Point: | 274.4 °C at 760 mmHg |
| Flash Point: | 113.5 °C |
| Solubility: | insoluble in water |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 23.79000 |
| LogP: | 3.02198 |
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Specification
The 1-Phenyl-1-cyclopentanecarbonitrile ,with the CAS register number 77-57-6, is also known to us as
1-Phenylcyclopentanenitrile ; Cyclopentanecarbonitrile,1-phenyl- ; 1-phenylcyclopentanecarbonitrile ; 1-phenyl-1-cyclopentanecarbonitrile ; 1-cyano-1-phenylcyclopentane ; 1-phenyl-1 cyclopentanecarbonitrile,98% .
Characteristics of this kind of chemical are as below: (1)#H bond acceptors: 1 ; (2)#Freely Rotating Bonds: 1 ; (3)Polar Surface Area: 23.79 ; (4)Index of Refraction: 1.551 ; (5)Molar Refractivity: 52.44 cm3 ; (6)Molar Volume: 164.1 cm3 ; (7)Polarizability: 20.78 ×10-24cm3 ; (8)Surface Tension: 42.9 dyne/cm ; (9)Density: 1.04 g/cm3 ; (10)Flash Point: 113.5 °C ; (11)Enthalpy of Vaporization: 51.28 kJ/mol ; (12)Boiling Point: 274.4 °C at 760 mmHg ; (13)Vapour Pressure: 0.00542 mmHg at 25°C .
It is clear light yellow liquid and insoluble in water. As for its usage, it is used as the chemical reagent, organic intermediate, fined chemistry and medicine research. Its upstream material are 1,4-Dibromobutane and phenylacetonitrile, and its preparation products are as below: 1-Phenylcyclopentanecarboxylic acid , caramiphen hydrogen edisilate , Pentoxyverine , α-Phenylcyclopentanecarbonyl chloride .
Being a kind of harmful chemicals, it may cause damage to health. And it is irritating to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. So while using, we need to take some instructions. Wear suitable protective clothing, gloves and eye/face protection and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could obtain the molecular structure by converting the following data information:
SMILES:N#CC2(c1ccccc1)CCCC2
InChI:InChI=1/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
InChIKey:GDXMFFGTPGAGGX-UHFFFAOYAA