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2-Oxazolidinone,5,5-dimethyl-4-phenyl-, (4S)- (168297-84-5)

Identification
Name:2-Oxazolidinone,5,5-dimethyl-4-phenyl-, (4S)-
Synonyms:2-Oxazolidinone,5,5-dimethyl-4-phenyl-, (S)-; (4S)-5,5-Dimethyl-4-phenyl-2-oxazolidinone;(S)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CAS:168297-84-5
Molecular Formula: C11H13 N O2
Molecular Weight: 191.2264
InChI: InChI=1/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1
Molecular Structure: (C11H13NO2) 2-Oxazolidinone,5,5-dimethyl-4-phenyl-, (S)-; (4S)-5,5-Dimethyl-4-phenyl-2-oxazolidinone;(S)-5,5-Dim...
Properties
Melting Point: 155-159 ºC
Flash Point: 185.6ºC
Boiling Point: 383.2 ºCat 760 mmHg
Density:1.093 g/cm3
Refractive index:1.514
Alpha:71 º (C=2 IN CHLOROFORM)
Specification:

The (S)-Phenyl superquat with cas registry number of 168297-84-5, its IUPAC name is (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.  It belongs to the following product categories: (1)N-BOC; (2)Asymmetric Synthesis; (3)Chiral Auxiliaries; (4)Oxazolidinone Derivatives.

Physical properties about this chemical are: (1)XLogP3-AA: 1.9; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 2; (6)Exact Mass: 191.094629; (7)MonoIsotopic Mass: 191.094629; (8)Topological Polar Surface Area: 38.3; (9)Heavy Atom Count:14; (10)Formal Charge: 0; (11)Complexity: 231; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 1; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following:
The (S)-Phenyl superquat irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

Flash Point: 185.6ºC
Safety Data
Hazard Symbols Xi: Irritant
 

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