CAS No.157636-81-2,(R)-(-)-4-(1H-INDOL-3-YLMETHYL)-2-OXAZOLIDINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	157636-81-2
Name:	(R)-(-)-4-(1H-INDOL-3-YLMETHYL)-2-OXAZOLIDINONE
Article Data:	12

Formula:	C₁₂H₁₂N₂O₂
Molecular Weight:	216.239
Synonyms:	2-Oxazolidinone,4-(1H-indol-3-ylmethyl)-, (R)- (9CI);(4R)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidin-2-one;
EINECS:	604-604-1
Density:	1.326 g/cm³
Melting Point:	157-160 °C(lit.)
Boiling Point:	544.4 °C at 760 mmHg
Flash Point:	283 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	54.12000
LogP:	2.14760

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Specification

The 2-Oxazolidinone,4-(1H-indol-3-ylmethyl)-, (4R)-, with the CAS registry number 157636-81-2, has the systematic name of (4R)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidin-2-one. And the molecular formula of this chemical is C₁₂H₁₂N₂O₂. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Oxazolidinone,4-(1H-indol-3-ylmethyl)-, (4R)- are as following: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.06; (6)ACD/BCF (pH 7.4): 12.06; (7)ACD/KOC (pH 5.5): 206.87; (8)ACD/KOC (pH 7.4): 206.87; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.12 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 60.36 cm³; (15)Molar Volume: 163 cm³; (16)Polarizability: 23.92×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.326 g/cm³; (19)Flash Point: 283 °C; (20)Enthalpy of Vaporization: 82.3 kJ/mol; (21)Boiling Point: 544.4 °C at 760 mmHg; (22)Vapour Pressure: 6.54E-12 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=C3N[C@H](Cc1cnc2ccccc12)CO3
(2)InChI: InChI=1/C12H12N2O2/c15-12-14-9(7-16-12)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13H,5,7H2,(H,14,15)/t9-/m1/s1
(3)InChIKey: LGXHODFXCOIGGJ-SECBINFHBV