Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate |
EINECS | 821-246-2 |
CAS No. | 118399-28-3 | Density | 1.272 g/cm3 |
PSA | 64.63000 | LogP | 1.61920 |
Solubility | N/A | Melting Point |
105.0 to 109.0 °C |
Formula | C12H13NO4 | Boiling Point | 466.087 °C at 760 mmHg |
Molecular Weight | 235.24 | Flash Point | 235.681 °C |
Transport Information | N/A | Appearance | Off-white solid |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester, (R)-;Carbamic acid, [(3R)-tetrahydro-5-oxo-3-furanyl]-,phenylmethyl ester (9CI); |
Article Data | 6 |
The Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate, with the CAS registry number 118399-28-3, has the systematic name of benzyl N-[(3R)-5-oxotetrahydrofuran-3-yl]carbamate. It is a kind of irritant chemcial, and belongs to the product categories of Chiral and Chiral Reagents. And the molecular formula of this chemical is C12H13NO4.
The physical properties of Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate are as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 64.63 Å2; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 59.83 cm3; (11)Molar Volume: 184.8 cm3; (12)Polarizability: 23.72×10-24cm3; (13)Surface Tension: 50 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 235.7 °C; (16)Enthalpy of Vaporization: 72.78 kJ/mol; (17)Boiling Point: 466.1 °C at 760 mmHg; (18)Vapour Pressure: 7.29E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)NC2CC(=O)OC2
(2)InChI: InChI=1/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m1/s1
(3)InChIKey: BNIBNUOPVTZWRT-SNVBAGLBBV