CAS No.54705-42-9,(S)-(-)-4-TERT-BUTYL-2-OXAZOLIDINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	54705-42-9
Name:	(S)-(-)-4-TERT-BUTYL-2-OXAZOLIDINONE
Article Data:	1

Formula:	C₇H₁₃NO₂
Molecular Weight:	143.186
Synonyms:	2-Oxazolidinone,4-(1,1-dimethylethyl)-, (S)-;(S)-4-tert-Butyl-2-oxazolidinone;(S)-(-)-4-tert-Butyl-2-oxazolidinone;
Density:	1.033 g/cm³
Melting Point:	118-120 °C(lit.)
Boiling Point:	289.1 °C at 760 mmHg
Flash Point:	128.6 °C
Appearance:	white or almost white crystalline powder
Safety:	22-24/25
PSA:	38.33000
LogP:	1.46970

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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 C₇H₁₃NO₂and 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