4-(4-Bromobutyl)benzoic acid

The 4-(4-Bromobutyl)benzoic acid, with CAS registry number 7377-04-0, has the systematic name of 4-(4-bromobutyl)benzoic acid. And the chemical formula of this chemical is C₁₁H₁₃BrO₂.

Physical properties of 4-(4-Bromobutyl)benzoic acid: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 33.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 197.66; (8)ACD/KOC (pH 7.4): 4.79; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 59.72 cm³; (15)Molar Volume: 180.9 cm³; (16)Polarizability: 23.67×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 66.45 kJ/mol; (21)Boiling Point: 381.7 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-06 mmHg at 25°C.

Uses of 4-(4-Bromobutyl)benzoic acid: it can be used to produce 4-(4-iodobutyl)benzoic acid. This reaction will need reagent potassium iodide and solvent acetone. The reaction time is 24 hour(s). The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)CCCCBr
(2)InChI: InChI=1/C11H13BrO2/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7H,1-3,8H2,(H,13,14)
(3)InChIKey: QNASQGBCQATCED-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H13BrO2/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7H,1-3,8H2,(H,13,14)
(5)Std. InChIKey: QNASQGBCQATCED-UHFFFAOYSA-N