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| CAS No.: | 16251-45-9 |
|---|---|
| Name: | (4S,5R)-(-)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE |
| Molecular Structure: | |
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| Formula: | C10H11NO2 |
| Molecular Weight: | 177.203 |
| Synonyms: | 2-Oxazolidinone,4-methyl-5-phenyl-, (4S,5R)-(-)- (8CI);2-Oxazolidinone, 4-methyl-5-phenyl-,(4S-cis)-;(4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone;(4S,5R)-4-Methyl-5-phenyl-2-oxazolidinone; |
| Density: | 1.132 g/cm3 |
| Melting Point: | 121-123 °C(lit.) |
| Boiling Point: | 395.8 °C at 760 mmHg |
| Flash Point: | 193.2 °C |
| Solubility: | Insoluble in water |
| Appearance: | White crystals |
| Safety: | 24/25 |
| PSA: | 38.33000 |
| LogP: | 2.18480 |
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Specification
The 2-Oxazolidinone,4-methyl-5-phenyl-, (4S,5R)- is an organic compound with the formula C10H11NO2. The IUPAC name of this chemical is (4S,5R)-4-Methyl-5-phenyl-1,3-oxazolidin-2-one. With the CAS registry number 16251-45-9, it is also named as (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone. The product's categories are API intermediates; Peptide; Asymmetric synthesis; Chiral auxiliaries; Oxazolidinone derivatives. Besides, it is white crystals, which should be stored in a dry, cool place.
Physical properties about 2-Oxazolidinone,4-methyl-5-phenyl-, (4S,5R)- are: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): 1.88; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 15.88; (5)ACD/BCF (pH 7.4): 15.88; (6)ACD/KOC (pH 5.5): 251.93; (7)ACD/KOC (pH 7.4): 251.93; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 48.07 cm3; (14)Molar Volume: 156.4 cm3; (15)Polarizability: 19.05×10-24 cm3; (16)Surface Tension: 36.3 dyne/cm; (17)Density: 1.132 g/cm3; (18)Flash Point: 193.2 °C; (19)Enthalpy of Vaporization: 64.6 kJ/mol; (20)Boiling Point: 395.8 °C at 760 mmHg; (21)Vapour Pressure: 1.79E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
When you are using it, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m1/s1
(2)InChIKey: PPIBJOQGAJBQDF-VXNVDRBHBU
(3)Std. InChI: InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m1/s1
(4)Std. InChIKey: PPIBJOQGAJBQDF-VXNVDRBHSA-N