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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 | 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 |
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