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Diethanolamine-(3R)-(+)-tetrahydrofuranylboronate

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Name

Diethanolamine-(3R)-(+)-tetrahydrofuranylboronate

EINECS N/A
CAS No. 100858-40-0 Density 1.07 g/cm3
PSA 39.72000 LogP 0.23030
Solubility N/A Melting Point 192-193 °C(lit.)
Formula C8H16BNO3 Boiling Point 275.5 °C at 760 mmHg
Molecular Weight 185.03 Flash Point 120.4 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 100858-40-0 (DIETHANOLAMINE-(3R)-(+)-TETRAHYDROFURANYLBORONATE) Hazard Symbols IrritantXi
Synonyms

4H-1,3,6,2-Dioxazaborocine,tetrahydro-2-(tetrahydro-3-furanyl)-, (R)-;2-[(3R)-tetrahydrofuran-3-yl]-1,3,6,2-dioxazaborocane;

 

Diethanolamine-(3R)-(+)-tetrahydrofuranylboronate Specification

The Diethanolamine-(3R)-(+)-tetrahydrofuranylboronate, with the CAS registry number 100858-40-0, has the systematic name of 2-[(3R)-tetrahydrofuran-3-yl]-1,3,6,2-dioxazaborocane. And the molecular formula of the chemical is C8H16BNO3.

The characteristics of Diethanolamine-(3R)-(+)-tetrahydrofuranylboronate are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 39.72 Å2; (5)Index of Refraction: 1.459; (6)Molar Refractivity: 47.32 cm3; (7)Molar Volume: 172.9 cm3; (8)Polarizability: 18.76×10-24cm3; (9)Surface Tension: 32.4 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 120.4 °C; (12)Enthalpy of Vaporization: 51.4 kJ/mol; (13)Boiling Point: 275.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00507 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1COB(OCCN1)[C@@H]2CCOC2
(2)InChI: InChI=1/C8H16BNO3/c1-4-11-7-8(1)9-12-5-2-10-3-6-13-9/h8,10H,1-7H2/t8-/m1/s1
(3)InChIKey: MRXQCXCVLUDHED-MRVPVSSYBW

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