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1-(4-Fluorophenyl)cyclopentanecarbonitrile

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Name

1-(4-Fluorophenyl)cyclopentanecarbonitrile

EINECS 280-526-7
CAS No. 83706-50-7 Density 1.12 g/cm3
PSA 23.79000 LogP 3.16108
Solubility N/A Melting Point N/A
Formula C12H12FN Boiling Point 303.5 °C at 760 mmHg
Molecular Weight 189.232 Flash Point 129.5 °C
Transport Information N/A Appearance N/A
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 83706-50-7 (1-(4-Fluorophenyl)cyclopentanecarbonitrile) Hazard Symbols HarmfulXn
Synonyms

1-(4-Fluorophenyl)cyclopentanecarbonitrile;

Article Data 5

1-(4-Fluorophenyl)cyclopentanecarbonitrile Specification

The Cyclopentanecarbonitrile,1-(4-fluorophenyl)-, with the CAS registry number 83706-50-7, is also known as 1-(4-Fluorophenyl)cyclopentanecarbonitrile. Its EINECS registry number is 280-526-7. This chemical's molecular formula is C12H12FN and molecular weight is 189.2288. What's more, its IUPAC name is 1-(4-Fluorophenyl)cyclopentane-1-carbonitrile.

Physical properties about Cyclopentanecarbonitrile,1-(4-fluorophenyl)- are: (1) ACD/LogP: 2.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.72; (4) ACD/LogD (pH 7.4): 2.72; (5) ACD/BCF (pH 5.5): 68.31; (6) ACD/BCF (pH 7.4): 68.31; (7) ACD/KOC (pH 5.5): 715.73; (8) ACD/KOC (pH 7.4): 715.73; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 23.79 Å2; (13) Index of Refraction: 1.534; (14) Molar Refractivity: 52.55 cm3; (15) Molar Volume: 168.9 cm3; (16) Polarizability: 20.83×10-24 cm3; (17) Surface Tension: 41 dyne/cm; (18) Density: 1.12 g/cm3; (19) Flash Point: 129.5 °C; (20) Enthalpy of Vaporization: 54.38 kJ/mol; (21) Boiling Point: 303.5 °C at 760 mmHg; (22) Vapour Pressure: 0.000929 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C2(C#N)CCCC2
(2) InChI: InChI=1/C12H12FN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2
(3) InChIKey: MAGOCEYAQAZRNE-UHFFFAOYAI

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