Basic Information | Post buying leads | Suppliers |
Name |
(3-Phenylisoxazol-5-yl)boronic acid |
EINECS | N/A |
CAS No. | 5868-54-2 | Density | 1.32 g/cm3 |
PSA | 66.49000 | LogP | 0.02140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8BNO3 | Boiling Point | 455.4 °C at 760 mmHg |
Molecular Weight | 188.978 | Flash Point | 229.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Isoxazoleboronicacid, 3-phenyl- (7CI,8CI);Boronic acid, (3-phenyl-5-isoxazolyl)- (9CI);(3-Phenylisoxazol-5-yl)boronic acid; |
This chemical is called (3-Phenylisoxazol-5-yl)boronic acid, and it can also be named as Boronic acid,B-(3-phenyl-5-isoxazolyl)-. With the molecular formula of C9H8BNO3, its molecular weight is 188.98. The CAS registry number of this chemical is 5868-54-2.
Other characteristics of the (3-Phenylisoxazol-5-yl)boronic acid can be summarised as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 86.79; (8)ACD/KOC (pH 7.4): 28.65; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.49 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 48.27 cm3; (15)Molar Volume: 142.3 cm3; (16)Polarizability: 19.13×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 229.2 °C; (20)Enthalpy of Vaporization: 75.36 kJ/mol; (21)Boiling Point: 455.4 °C at 760 mmHg; (22)Vapour Pressure: 4.38E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1oc(cc1c2ccccc2)B(O)O
2.InChI: InChI=1/C9H8BNO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6,12-13H
3.InChIKey: VEJIQHRMIYFYPS-UHFFFAOYAH