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Name |
Boronic acid,B-[4-[(cyclohexylamino)sulfonyl]phenyl]- |
EINECS | N/A |
CAS No. | 871329-66-7 | Density | 1.32 g/cm3 |
PSA | 95.01000 | LogP | 1.44910 |
Solubility | N/A | Melting Point |
270-276 °C |
Formula | C12H18BNO4S | Boiling Point | 484.5 °C at 760 mmHg |
Molecular Weight | 283.156 | Flash Point | 246.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [4-[(cyclohexylamino)sulfonyl]phenyl]- (9CI); |
The Boronic acid,B-[4-[(cyclohexylamino)sulfonyl]phenyl]- is an organic compound with the formula C12H18BNO4S. The systematic name of this chemical is [4-(cyclohexylsulfamoyl)phenyl]boronic acid. With the CAS registry number 871329-66-7, it is also named as 4-(N-Cyclohexylsulphonamido)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.
Physical properties about Boronic acid,B-[4-[(cyclohexylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.3; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 95.01 Å2; (8)Index of Refraction: 1.581; (9)Molar Refractivity: 71.47 cm3; (10)Molar Volume: 214.3 cm3; (11)Polarizability: 28.33×10-24cm3; (12)Surface Tension: 56.1 dyne/cm; (13)Density: 1.32 g/cm3; (14)Flash Point: 246.8 °C; (15)Enthalpy of Vaporization: 78.98 kJ/mol; (16)Boiling Point: 484.5 °C at 760 mmHg; (17)Vapour Pressure: 3.36E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)NC2CCCCC2)(O)O
(2)InChI: InChI=1/C12H18BNO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h6-9,11,14-16H,1-5H2
(3)InChIKey: XYWYVMPPDKSUFJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H18BNO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h6-9,11,14-16H,1-5H2
(5)Std. InChIKey: XYWYVMPPDKSUFJ-UHFFFAOYSA-N