Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester supplier

Name
4-(TERT-BUTOXYCARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 850568-72-8
Article Data17
CAS DataBase
Density 1.04 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
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;
PSA 44.76000
LogP 2.94110

Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester Specification

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

Product Name

4-(TERT-BUTOXYCARBONYL)PHENYLBORONIC ACID

Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester Specification

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