(S)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one supplier

Name
(S)-3-(3-FLUOROPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE
EINECS
CAS No. 919081-42-8
Article Data4
CAS DataBase
Density 1.368 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀FNO₃
Boiling Point 341.2 °C at 760 mmHg
Molecular Weight 211.193
Flash Point 160.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5S)-3-(3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;-oxazolidinone, 3-(3-fluorophenyl)-5-(hydroxymethyl)-, (5S)-;
PSA 49.77000
LogP 1.20820

(S)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one Specification

The (S)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one, with the CAS registry number 919081-42-8, has the systematic name of (5S)-3-(3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₀FNO₃.

The characteristics of (S)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one are as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.67; (6)ACD/BCF (pH 7.4): 4.67; (7)ACD/KOC (pH 5.5): 104.81; (8)ACD/KOC (pH 7.4): 104.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 49.8 cm³; (15)Molar Volume: 154.2 cm³; (16)Polarizability: 19.74×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 160.1 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 341.2 °C at 760 mmHg; (22)Vapour Pressure: 3.16E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2O[C@@H](CN2c1cc(F)ccc1)CO
(2)InChI: InChI=1/C10H10FNO3/c11-7-2-1-3-8(4-7)12-5-9(6-13)15-10(12)14/h1-4,9,13H,5-6H2/t9-/m0/s1
(3)InChIKey: XYUGDJIYKLSISX-VIFPVBQEBU

Product Name

(S)-3-(3-FLUOROPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE

(S)-3-(3-Fluorophenyl)-5-(hydroxymethyl)oxazolidin-2-one Specification

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