1-(4-Methylphenyl)-1-cyclopropanecarbonitrile (71172-78-6)

The 1-(4-Methylphenyl)-1-cyclopropanecarbonitrile, with the CAS registry number 71172-78-6, is also known as 1-(4-Methylphenyl cyclopropanecarbonitrile. The EINECS registry number of 1-(4-Methylphenyl)-1-cyclopropanecarbonitrile is 275-240-4. This chemical's molecular formula is C₁₁H₁₁N and molecular weight is 157.21. What's more, both its IUPAC name and systematic name are the same which is called 1-(4-Methylphenyl)cyclopropane-1-carbonitrile. And it is clear yellow liquid.

Physical properties about this chemical are: (1) ACD/LogP: 2.00; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 19.37; (6) ACD/BCF (pH 7.4): 19.37; (7) ACD/KOC (pH 5.5): 290.38; (8) ACD/KOC (pH 7.4): 290.38; (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: 1.562; (14) Molar Refractivity: 47.8 cm³; (15) Molar Volume: 147.2 cm³; (16) Surface Tension: 43.5 dyne/cm; (17) Density: 1.06 g/cm³; (18) Flash Point: 107.2 °C; (19) Enthalpy of Vaporization: 53.25 kJ/mol; (20) Boiling Point: 293 °C at 760 mmHg; (21) Vapour Pressure: 0.00178 mmHg at 25 °C

When you are dealing with this chemical, you should be very careful. This chemical is harmful to eyes and skin. It may cause damage to health if inhalation, in contact with skin and swallowed. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1=CC=C(C=C1)C2(CC2)C#N
(2) InChI: InChI=1S/C11H11N/c1-9-2-4-10(5-3-9)11(8-12)6-7-11/h2-5H,6-7H2,1H3
(3) InChIKey: NMDIWHQRZLXXNV-UHFFFAOYSA-N