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Name |
Boronicacid, B-[3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]- |
EINECS | N/A |
CAS No. | 913835-57-1 | Density | 1.48g/cm3 |
PSA | 115.24000 | LogP | -0.89130 |
Solubility | N/A | Melting Point |
228-230 °C |
Formula | C8H12BNO5S | Boiling Point | 528.9 °C at 760 mmHg |
Molecular Weight | 245.064 | Flash Point | 273.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]- (9CI); |
The Boronicacid, B-[3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]-, with CAS registry number 913835-57-1, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [3-(2-hydroxyethylsulfamoyl)phenyl]boronic acid. And the chemical formula of this chemical is C8H12BNO5S.
Physical properties of Boronicacid, B-[3-[[(2-hydroxyethyl)amino]sulfonyl]phenyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 115.24 Å2; (6)Index of Refraction: 1.602; (7)Molar Refractivity: 56.55 cm3; (8)Molar Volume: 164.7 cm3; (9)Polarizability: 22.41×10-24cm3; (10)Surface Tension: 69 dyne/cm; (11)Density: 1.48 g/cm3; (12)Flash Point: 273.7 °C; (13)Enthalpy of Vaporization: 84.62 kJ/mol; (14)Boiling Point: 528.9 °C at 760 mmHg; (15)Vapour Pressure: 5.13E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)NCCO)(O)O
(2)InChI: InChI=1/C8H12BNO5S/c11-5-4-10-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,10-13H,4-5H2
(3)InChIKey: HSOUGLHWSPWPOM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H12BNO5S/c11-5-4-10-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,10-13H,4-5H2
(5)Std. InChIKey: HSOUGLHWSPWPOM-UHFFFAOYSA-N