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214262-93-8

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Basic Information
CAS No.: 214262-93-8
Name: 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
Molecular Structure:
Molecular Structure of 214262-93-8 (1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile)
Formula: C13H13ClFN
Molecular Weight: 237.7
Synonyms: 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile;
Density: 1.21 g/cm3
Melting Point: 58-65 °C
Boiling Point: 348.3 °C at 760 mmHg
Flash Point: 164.5 °C
Appearance: almost white lumps
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 36/37/39-26
PSA: 23.79000
LogP: 4.20458
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    1-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBONITRILECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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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