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312624-01-4

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Basic Information
CAS No.: 312624-01-4
Name: (S)-(-)-4-(DIPHENYLMETHYL)-2-OXAZOLIDIN&
Article Data: 5
Molecular Structure:
Molecular Structure of 312624-01-4 ((S)-(-)-4-(DIPHENYLMETHYL)-2-OXAZOLIDIN&)
Formula: C16H15NO2
Molecular Weight: 253.301
Synonyms: (4S)-4-(diphenylmethyl)-1,3-oxazolidin-2-one;(S)-(-)-4-(Diphenylmethyl)-2-oxazolidinone;(S)-(?)-4-(Diphenylmethyl)-2-oxazolidinone;
Density: 1.181 g/cm3
Melting Point: 144-147 °C(lit.)
Boiling Point: 472.6 °C at 760 mmHg
Flash Point: 239.6 °C
Hazard Symbols: Xi
PSA: 41.82000
LogP: 2.56690
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Specification

The 2-Oxazolidinone,4-(diphenylmethyl)-, (4S)-, with the CAS registry number 312624-01-4, has the systematic name of (4S)-4-(diphenylmethyl)-1,3-oxazolidin-2-one. And the molecular formula of this chemical is C16H15NO2. It belongs to the following product categories: Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives.

The physical properties of 2-Oxazolidinone,4-(diphenylmethyl)-, (4S)- are as following: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 222.76; (6)ACD/BCF (pH 7.4): 222.76; (7)ACD/KOC (pH 5.5): 1667.99; (8)ACD/KOC (pH 7.4): 1667.97; (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: 1.591; (14)Molar Refractivity: 72.48 cm3; (15)Molar Volume: 214.4 cm3; (16)Polarizability: 28.73×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 239.6 °C; (20)Enthalpy of Vaporization: 73.56 kJ/mol; (21)Boiling Point: 472.6 °C at 760 mmHg; (22)Vapour Pressure: 4.22E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N[C@H](CO1)C(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C16H15NO2/c18-16-17-14(11-19-16)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,17,18)/t14-/m1/s1
(3)InChIKey: QEOCTJMBYZNEJH-CQSZACIVBN