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1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile

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Name

1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile

EINECS N/A
CAS No. 214262-93-8 Density 1.21 g/cm3
PSA 23.79000 LogP 4.20458
Solubility N/A Melting Point 58-65 °C
Formula C13H13ClFN Boiling Point 348.3 °C at 760 mmHg
Molecular Weight 237.7 Flash Point 164.5 °C
Transport Information N/A Appearance almost white lumps
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 214262-93-8 (1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile) Hazard Symbols HarmfulXn
Synonyms

1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile;

 

1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile Specification

The CAS register number of 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile is 214262-93-8. It also can be called as Cyclohexanecarbonitrile,1-(2-chloro-4-fluorophenyl)- and the IUPAC name about this chemical is 1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrile. The molecular formula about this chemical is C13H13ClFN and the molecular weight is 237.7. If you want to store this chemical, please keep it in a closed container and store it in a dry, cool place.

Physical properties about 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile are: (1)ACD/LogP: 3.44; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.79Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 62.01 cm3; (7)Molar Volume: 196.3 cm3; (8)Polarizability: 24.58x10-24cm3; (9)Surface Tension: 43.7 dyne/cm; (10)Enthalpy of Vaporization: 59.27 kJ/mol; (11)Boiling Point: 348.3 °C at 760 mmHg; (12)Vapour Pressure: 5.07E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Cl)c(cc1)C2(C#N)CCCCC2
(2)InChI: InChI=1/C13H13ClFN/c14-12-8-10(15)4-5-11(12)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
(3)InChIKey: KZGDMXVKXALOSX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H13ClFN/c14-12-8-10(15)4-5-11(12)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
(5)Std. InChIKey: KZGDMXVKXALOSX-UHFFFAOYSA-N

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