Name: 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
SKU: 775351-57-0

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Basic Information

Molecular Structure:
CAS No.:	775351-57-0
Name:	3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
Article Data:	7

Formula:	C₁₃H₁₅BFNO₂
Molecular Weight:	247.077
Synonyms:	2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;5-Cyano-2-fluorophenylboronic acid, pinacol ester;AC1Q2CS9;BM369;
Density:	1.12 g/cm³
Melting Point:	75-76℃
Boiling Point:	334.5 °C at 760 mmHg
Flash Point:	156.1 °C
PSA:	42.25000
LogP:	1.99658

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Specification

The Benzonitrile,2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- with CAS registry number of 775351-57-0 is also known as 3-Cyano-4-fluorophenylboronic acid, pinacol ester. The IUPAC name is 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile. It belongs to product categories of Aryl; Organoborons. In addition, the formula is C₁₃H₁₅BFNO₂ and the molecular weight is 265.09.

Physical properties about Benzonitrile,2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 42.25Å²; (5)Index of Refraction: 1.495; (6)Molar Refractivity: 64.13 cm³; (7)Molar Volume: 219.5 cm³; (8)Polarizability: 25.42×10^-24cm³; (9)Surface Tension: 35.7 dyne/cm; (10)Density: 1.12 g/cm³; (11)Flash Point: 156.1 °C; (12)Enthalpy of Vaporization: 57.74 kJ/mol; (13)Boiling Point: 334.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000128 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C#N
2. InChI: InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7H,1-4H3
3. InChIKey: RYJOVQGRIOURGT-UHFFFAOYSA-N