CAS No.16251-45-9,(4S,5R)-(-)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16251-45-9
Name:	(4S,5R)-(-)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE
Article Data:	38
Cas Database

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

Raw Materials

105-58-8

77877-20-4

113322-99-9

54064-02-7

530-62-1

591-51-5

6638-79-5

79219-15-1

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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

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