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CAS No.: | 156481-74-2 |
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Name: | (R)-4,5,5-TRIPHENYL-2-OXAZOLIDINONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C21H17NO2 |
Molecular Weight: | 315.371 |
Synonyms: | 2-Oxazolidinone,4,5,5-triphenyl-, (R)-;(4R)-4,5,5-triphenyl-1,3-oxazolidin-2-one; |
Density: | 1.197 g/cm3 |
Melting Point: | 246-250 °C(lit.) |
Boiling Point: | 513 °C at 760 mmHg |
Flash Point: | 264.1 °C |
Safety: | 22-24/25 |
PSA: | 38.33000 |
LogP: | 4.74010 |
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The 2-Oxazolidinone,4,5,5-triphenyl-, (4R)-, with the CAS registry number 156481-74-2, has the systematic name of (4R)-4,5,5-triphenyl-1,3-oxazolidin-2-one. And the molecular formula of this chemical is C21H17NO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The physical properties of 2-Oxazolidinone,4,5,5-triphenyl-, (4R)- are as following: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4493.93; (6)ACD/BCF (pH 7.4): 4492.99; (7)ACD/KOC (pH 5.5): 14326.6; (8)ACD/KOC (pH 7.4): 14323.6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 92.15 cm3; (15)Molar Volume: 263.2 cm3; (16)Polarizability: 36.53×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 264.1 °C; (20)Enthalpy of Vaporization: 78.43 kJ/mol; (21)Boiling Point: 513 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N[C@H](c1ccccc1)C(O2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C21H17NO2/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H,(H,22,23)/t19-/m1/s1
(3)InChIKey: QCWBJFYOEHCELV-LJQANCHMBS