Basic information
- Name:
2,4-Distyrylphenol
- CAS No.:
2012-21-7
- Molecular Structure:
- Formula:
- C22H18O
- Molecular Weight:
- 298.38
- Synonyms:
- Phenol,2,4-distyryl- (7CI,8CI);NSC 68024;Phenol,2,4-bis(2-phenylethenyl)-;2,4-Bis(2-phenylvinyl)phenol;
- EINECS:
- 217-933-6
- Density:
- 1.173 g/cm3
- Boiling Point:
- 475.211 °C at 760 mmHg
- Flash Point:
- 224.418 °C
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Specification
The 2,4-Distyrylphenol, with the CAS registry number 2012-21-7, is also known as Phenol,2,4-bis(2-phenylethenyl)-. Its EINECS number is 217-933-6. This chemical's molecular formula is C22H18O and molecular weight is 298.38. What's more, its systematic name is 2,4-Bis(2-phenylvinyl)phenol.
Physical properties of 2,4-Distyrylphenol are: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2355.04; (6)ACD/BCF (pH 7.4): 2328.39; (7)ACD/KOC (pH 5.5): 9020.98; (8)ACD/KOC (pH 7.4): 8918.91; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 102.922 cm3; (15)Molar Volume: 254.278 cm3; (16)Polarizability: 40.801×10-24cm3; (17)Surface Tension: 54.74 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 224.418 °C; (20)Enthalpy of Vaporization: 76.688 kJ/mol; (21)Boiling Point: 475.211 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(cc2C=Cc1ccccc1)C=Cc3ccccc3
(2)Std. InChI: InChI=1S/C22H18O/c23-22-16-14-20(12-11-18-7-3-1-4-8-18)17-21(22)15-13-19-9-5-2-6-10-19/h1-17,23H
(3)Std. InChIKey: CRPRNPDCERQCDS-UHFFFAOYSA-N
