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| CAS No.: | 97009-67-1 |
|---|---|
| Name: | 1-(4-FLUORO-PHENYL)-CYCLOPROPANECARBONITRILE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C10H8FN |
| Molecular Weight: | 161.179 |
| Synonyms: | 1-(4-Fluorophenyl)cyclopropanecarbonitrile;1-(4-Fluorophenyl)cyclopropylnitrile; |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 268.7 °C at 760 mmHg |
| Flash Point: | 111.8 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 23.79000 |
| LogP: | 2.38088 |
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- Total:26 Page 1 of 1 1
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Specification
The 1-(4-Fluorophenyl)cyclopropanecarbonitrile with its cas register number is 97009-67-1. It also can be called as Cyclopropanecarbonitrile,1-(4-fluorophenyl)- and the Systematic name about this chemical is 1-(4-fluorophenyl)cyclopropanecarbonitrile.
Physical properties about 1-(4-Fluorophenyl)cyclopropanecarbonitrile are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.48; (5)ACD/BCF (pH 7.4): 9.48; (6)ACD/KOC (pH 5.5): 174.11; (7)ACD/KOC (pH 7.4): 174.11; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 43.29 cm3; (13)Molar Volume: 136 cm3; (14)Polarizability: 17.16x10-24cm3; (15)Surface Tension: 42.4 dyne/cm; (16)Enthalpy of Vaporization: 50.68 kJ/mol; (17)Vapour Pressure: 0.00755 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C2(C#N)CC2
(2)InChI: InChI=1/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
(3)InChIKey: MFNQFDZHIVUCOX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
(5)Std. InChIKey: MFNQFDZHIVUCOX-UHFFFAOYSA-N