[1,1'-Biphenyl]-4-carboxylicacid, 4'-hydroxy- (58574-03-1)

The [1,1'-Biphenyl]-4-carboxylicacid, 4'-hydroxy-, with its CAS registry number 58574-03-1, has the IUPAC name of 4-(4-hydroxyphenyl)benzoic acid. When store it, you should keep it in the dry and cool place, away from the oxidizing material.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 6.23; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 57.41; (8)ACD/KOC (pH 7.4): 1.45; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 59.65 cm³; (15)Molar Volume: 165.6 cm³; (16)Polarizability: 23.64×10^-24 cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.292 g/cm³; (19)Flash Point: 222.2 °C; (20)Enthalpy of Vaporization: 71.08 kJ/mol; (21)Boiling Point: 420.4 °C at 760 mmHg; (22)Vapour Pressure: 8.08E-08 mmHg at 25°C; (23)Exact Mass: 214.062994; (24)MonoIsotopic Mass: 214.062994; (25)Topological Polar Surface Area: 57.5; (26)Heavy Atom Count: 16; (27)Complexity: 236.

Use of this chemical: [1,1'-Biphenyl]-4-carboxylicacid, 4'-hydroxy- could react with octan-1-ol to produce 4'-hydroxy-biphenyl-4-carboxylic acid octyl ester. This reaction could happen in the presence of the reagent of H(+) and the solvent of toluene.

Production method of this chemical: 4'-acetoxy-biphenyl-4-carboxylic acid could react to produce [1,1'-Biphenyl]-4-carboxylicacid, 4'-hydroxy-. This reaction could happen in the presence of the reagent of NaOH and the solvent of H₂O and ethanol in the condition of heating.  

When you are dealing with this kind of chemical, you should be cautious. This is a kind of irritant chemical which is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)C(=O)O
(2)InChI: InChI=1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,
(H,15,16)
(3)InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N