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Name |
Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 850568-72-8 | Density | 1.04 g/cm3 |
PSA | 44.76000 | LogP | 2.94110 |
Solubility | N/A | Melting Point |
128-132 °C |
Formula | C17H25BO4 | Boiling Point | 389.1 °C at 760 mmHg |
Molecular Weight | 304.194 | Flash Point | 189.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(tert-Butoxycarbonyl)phenylboronic acid;4-(tert-Butoxycarbonyl)benzeneboronic acid, pinacol ester;tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; |
Article Data | 17 |
The systematic name of Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. With the CAS registry number 850568-72-8, it is also named as 4-(tert-Butoxycarbonyl)phenylboronic acid. The product's categories are Blocks; Boronic Acids; Carboxes; Boronic Acids; Aryl; Boronic Ester; Organoborons. It should be kept in cold place. In addition, its molecular formula is C17H25BO4 and its molecular weight is 304.19.
The other characteristics of Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 44.76 Å2; (5)Index of Refraction: 1.494; (6)Molar Refractivity: 84.46 cm3; (7)Molar Volume: 289.8 cm3; (8)Polarizability: 33.48×10-24cm3; (9)Surface Tension: 34.4 dyne/cm; (10)Density: 1.04 g/cm3; (11)Flash Point: 189.1 °C; (12)Melting Point: 128-132 °C; (13)Enthalpy of Vaporization: 63.84 kJ/mol; (14)Boiling Point: 389.1 °C at 760 mmHg; (15)Vapour Pressure: 2.92E-06 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)c2ccc(B1OC(C)(C)C(O1)(C)C)cc2
(2)InChI: InChI=1/C17H25BO4/c1-15(2,3)20-14(19)12-8-10-13(11-9-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
(3)InChIKey: GNXLDEFJAZGNCJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-8-10-13(11-9-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
(5)Std. InChIKey: GNXLDEFJAZGNCJ-UHFFFAOYSA-N