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267240-23-3

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Basic Information
CAS No.: 267240-23-3
Name: Phenolphthalein diphosphate pyridine salt
Molecular Structure:
Molecular Structure of 267240-23-3 (Phenolphthalein diphosphate pyridine salt)
Formula: C20H16O10P2.C5H5N
Molecular Weight: 557.38
Synonyms: Phenolphthalein bisphosphate pyridine salt;
Boiling Point: 818.2 °C at 760 mmHg
Flash Point: 448.6 °C
PSA: 192.33000
LogP: 4.17350
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Specification

The Phenolphthalein diphosphate pyridine salt with the CAS number 267240-23-3 is also called Phenolphthalein bisphosphate pyridine salt. The IUPAC name is [4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate; pyridine. Its molecular formula is C20H16O10P2.C5H5N. THis chemical should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 11; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 148.33Å2; (7)Flash Point: 448.6 °C; (8)Enthalpy of Vaporization: 124.68 kJ/mol; (9)Boiling Point: 818.2 °C at 760 mmHg; (10)Vapour Pressure: 2.57×10-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(OP(=O)(O)O)cc4.n1ccccc1
(2)InChI: InChI=1/C20H16O10P2.C5H5N/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;1-2-4-6-5-3-1/h1-12H,(H2,22,23,24)(H2,25,26,27);1-5H
(3)InChIKey: DBXHFBVMRQOQKW-UHFFFAOYAH