CAS No.28084-48-2,4-Hydroxyphenyl 4-hydroxybenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28084-48-2
Name:	4-Hydroxyphenyl 4-hydroxybenzoate
Article Data:	11

Formula:	C₁₃H₁₀O₄
Molecular Weight:	230.22
Synonyms:	Benzoicacid, p-hydroxy-, p-hydroxyphenyl ester (8CI);Hydroquinone,mono(p-hydroxybenzoate) (8CI);4-Hydroxyphenyl 4-hydroxybenzoate;
Density:	1.356 g/cm³
Melting Point:	245-247 °C
Boiling Point:	457.8 °C at 760 mmHg
Flash Point:	181.6 °C
PSA:	66.76000
LogP:	2.31700

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Specification

This chemical is an organic compound with the formula C₁₃H₁₀O₄. The systematic name of this chemical is 4-hydroxyphenyl 4-hydroxybenzoate. With the CAS registry number 28084-48-2, it is also named as benzoic acid, 4-hydroxy-, 4-hydroxyphenyl ester. The product's category is API Intermediates. In addition, the molecular weight is 230.22.

The other characteristics of 4-Hydroxyphenyl 4-hydroxybenzoate can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 39.19; (6)ACD/BCF (pH 7.4): 32.44; (7)ACD/KOC (pH 5.5): 480.45; (8)ACD/KOC (pH 7.4): 397.76; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 61.66 cm³; (15)Molar Volume: 169.7 cm³; (16)Polarizability: 24.44×10^-24 cm³; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.356 g/cm³; (19)Flash Point: 181.6 °C; (20)Enthalpy of Vaporization: 74.56 kJ/mol; (21)Boiling Point: 457.8 °C at 760 mmHg; (22)Vapour Pressure: 5.31E-09 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Oc1ccc(O)cc1)c2ccc(O)cc2
2. InChI:InChI=1/C13H10O4/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,14-15H
3. InChIKey:OQBPCYUKFSJTDU-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C13H10O4/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,14-15H
5. Std. InChIKey:OQBPCYUKFSJTDU-UHFFFAOYSA-N