1-(4-Chlorophenyl)-1-cyclobutanecarboxylic acid

The IUPAC name of 1-(4-Chlorophenyl)-1-cyclobutanecarboxylic acid is 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid. With the CAS registry number 50921-39-6, it is also named as Cyclobutanecarboxylicacid, 1-(4-chlorophenyl)-. The product is light yellow to purple crystalline powder, which should be stored in closed, cool and dry place. In addition, its molecular formula is C₁₁H₁₁ClO₂ and its molecular weight is 210.66.

The other characteristics of 1-(4-Chlorophenyl)-1-cyclobutanecarboxylic acid  can be summarized as: (1)EINECS: 256-847-3; (2)ACD/LogP: 2.71; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.449; (5)ACD/BCF (pH 5.5): 3.702; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38.886; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 53.799 cm³; (14)Molar Volume: 157.793 cm³; (15)Surface Tension: 55.179 dyne/cm; (16)Density: 1.335 g/cm³; (17)Flash Point: 165.73 °C; (18)Melting Point: 80-90 °C; (19)Enthalpy of Vaporization: 62.791 kJ/mol; (20)Boiling Point: 350.422 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of this product: this chemical can be prepared by 1-(4-Chlorophenyl)cyclobutanecarbonitrile.



This reaction needs KOH and Bis-(2-hydroxy-ethyl) ether. The yield is 73 %.

Uses of this product: it can be used to produce 1-(4-Chlorophenyl)cyclobutylmethanol.



This reaction needs LiAlH₄ and diethyl ether. The yield is 74 %.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ccc1C2(CCC2)C(=O)O)Cl
(2)InChI: InChI=1/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
(3)InChIKey: XYSRHOKREWGGFE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
(5)Std. InChIKey: XYSRHOKREWGGFE-UHFFFAOYSA-N