Product Name

  • Name

    p-Xylenolphthalein

  • EINECS 256-893-4
  • CAS No. 50984-88-8
  • Article Data4
  • CAS DataBase
  • Density 1.27 g/cm3
  • Solubility
  • Melting Point 276°C
  • Formula C24H22O4
  • Boiling Point 569.6 °C at 760 mmHg
  • Molecular Weight 374.436
  • Flash Point 198.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 50984-88-8 (p-Xylenolphthalein)
  • Hazard Symbols
  • Synonyms p-Xylenolphthalein(6CI,7CI);3,3-Bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1(3H)-one;p-Xylenolphthalein;2',5',2'',5''-Tetramethylphenolphthalein;
  • PSA 66.76000
  • LogP 4.79370

p-Xylenolphthalein Specification

The 9H-Fluoren-9-one,1-amino-, with the CAS registry number 50984-88-8, is also known as p-Xylenolphthalein. Its EINECS number is 256-893-4. This chemical's molecular formula is C24H22O4 and molecular weight is 374.43. What's more, its systematic name is 3,3-bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1(3H)-one. 

Physical properties of 9H-Fluoren-9-one,1-amino- are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1471.47; (6)ACD/BCF (pH 7.4): 1464.78; (7)ACD/KOC (pH 5.5): 6442.69; (8)ACD/KOC (pH 7.4): 6413.39; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 107.4 cm3; (15)Molar Volume: 294.8 cm3; (16)Polarizability: 42.57×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 198.4 °C; (20)Enthalpy of Vaporization: 88.63 kJ/mol; (21)Boiling Point: 569.6 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(c2ccccc12)(c3cc(c(O)cc3C)C)c4cc(c(O)cc4C)C
(2)Std. InChI: InChI=1S/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3
(3)Std. InChIKey: PXCIPOXPHMTCIL-UHFFFAOYSA-N

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