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CAS No.: | 6315-39-5 |
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Name: | 2-[(2-hydroxyphenyl)(phenyl)methyl]benzoic acid |
Molecular Structure: | |
Formula: | C20H16O3 |
Molecular Weight: | 304.3392 |
Synonyms: | NSC21264; |
Density: | 1.249 g/cm3 |
Boiling Point: | 492.8 °C at 760 mmHg |
Flash Point: | 265.9 °C |
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The CAS register number of Benzoicacid, 2-[(2-hydroxyphenyl)phenylmethyl]- is 6315-39-5. The systematic name about this chemical is 2-[(2-hydroxyphenyl)(phenyl)methyl]benzoic acid. The molecular formula about this chemical is C20H16O3 and the molecular weight is 304.3392.
Physical properties about Benzoicacid, 2-[(2-hydroxyphenyl)phenylmethyl]- are: (1)ACD/LogP: 4.63; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 35.53 Å2; (6)Index of Refraction: 1.649; (7)Molar Refractivity: 88.77 cm3; (8)Molar Volume: 243.6 cm3; (9)Polarizability: 35.19x10-24cm3; (10)Surface Tension: 56.6 dyne/cm; (11)Density: 1.249 g/cm3; (12)Flash Point: 265.9 °C; (13)Enthalpy of Vaporization: 80.02 kJ/mol; (14)Boiling Point: 492.8 °C at 760 mmHg; (15)Vapour Pressure: 1.58E-10 mmHg at 25 °C.
Uses of Benzoicacid, 2-[(2-hydroxyphenyl)phenylmethyl]-: it can be used to produce e-lactone of 2-(2'-hydroxybenzhydryl)benzoic acid with acetic acid anhydride. The reaction time is 1 hour with reaction temperature of 120 °C. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1)C(c2ccccc2O)c3ccccc3
(2)InChI: InChI=1/C20H16O3/c21-18-13-7-6-12-17(18)19(14-8-2-1-3-9-14)15-10-4-5-11-16(15)20(22)23/h1-13,19,21H,(H,22,23)
(3)InChIKey: DBXWCEYPSAOCII-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H16O3/c21-18-13-7-6-12-17(18)19(14-8-2-1-3-9-14)15-10-4-5-11-16(15)20(22)23/h1-13,19,21H,(H,22,23)
(5)Std. InChIKey: DBXWCEYPSAOCII-UHFFFAOYSA-N