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(S)-(-)-4-tert-Butyl-2-oxazolidinone

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Name

(S)-(-)-4-tert-Butyl-2-oxazolidinone

EINECS N/A
CAS No. 54705-42-9 Density 1.033 g/cm3
PSA 38.33000 LogP 1.46970
Solubility N/A Melting Point 118-120 °C(lit.)
Formula C7H13NO2 Boiling Point 289.1 °C at 760 mmHg
Molecular Weight 143.186 Flash Point 128.6 °C
Transport Information N/A Appearance white or almost white crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 54705-42-9 ((S)-(-)-4-TERT-BUTYL-2-OXAZOLIDINONE) Hazard Symbols N/A
Synonyms

2-Oxazolidinone,4-(1,1-dimethylethyl)-, (S)-;(S)-4-tert-Butyl-2-oxazolidinone;(S)-(-)-4-tert-Butyl-2-oxazolidinone;

Article Data 1

(S)-(-)-4-tert-Butyl-2-oxazolidinone Specification

The CAS register number of (S)-(-)-4-tert-Butyl-2-oxazolidinone is 54705-42-9. It also can be called as 2-Oxazolidinone,4-(1,1-dimethylethyl)-, (4S)- and the IUPAC name about this chemical is (4S)-4-tert-butyl-1,3-oxazolidin-2-one. The molecular formula about this chemical is C7H13NO2 and the molecular weight is 143.18. It belongs to the following product categories, such as Oxazolidinone; Chiral Reagent; Amino Alcohols & Deriv.; Chiral Chemicals and so on. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

Physical properties about (S)-(-)-4-tert-Butyl-2-oxazolidinone are: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): 1.39; (4)ACD/BCF (pH 5.5): 6.73; (5)ACD/BCF (pH 7.4): 6.73; (6)ACD/KOC (pH 5.5): 136.28; (7)ACD/KOC (pH 7.4): 136.28; (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: 1.448; (13)Molar Refractivity: 37.11 cm3; (14)Molar Volume: 138.5 cm3; (15)Polarizability: 14.71x10-24cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Enthalpy of Vaporization: 52.84 kJ/mol; (18)Boiling Point: 289.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00225 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC[C@@H](N1)C(C)(C)C
(2)InChI: InChI=1/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
(3)InChIKey: WKUHGFGTMLOSKM-RXMQYKEDBL
(4)Std. InChI: InChI=1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
(5)Std. InChIKey: WKUHGFGTMLOSKM-RXMQYKEDSA-N

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