Urea,N-butyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- supplier

Name
1-BUTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
EINECS
CAS No. 850567-59-8
Density 1.06 g/cm³
Solubility
Melting Point 207-209 °C
Formula C₁₇H₂₇BN₂O₃
Boiling Point 419.9 °C at 760 mmHg
Molecular Weight 318.22
Flash Point 207.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(3-Butylureido)benzeneboronic acid, pinacol ester;1-Butyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;
PSA 59.59000
LogP 3.37130

Urea,N-butyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Specification

The systematic name of Urea,N-butyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is 1-butyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 850567-59-8, it is also named as 4-(3-Butylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; Boronic Acids. In addition, its molecular formula is C₁₇H₂₇BN₂O₃ and its molecular weight is 318.22.

The other characteristics of Urea,N-butyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- can be summarized as: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 59.59 Å²; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 90.02 cm³; (7)Molar Volume: 298.4 cm³; (8)Polarizability: 35.68×10^-24cm³; (9)Surface Tension: 38.2 dyne/cm; (10)Density: 1.06 g/cm³; (11)Flash Point: 207.7 °C; (12)Melting Point: 207-209 °C; (13)Enthalpy of Vaporization: 67.37 kJ/mol; (14)Boiling Point: 419.9 °C at 760 mmHg; (15)Vapour Pressure: 2.94E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)NCCCC
(2)InChI: InChI=1/C17H27BN2O3/c1-6-7-12-19-15(21)20-14-10-8-13(9-11-14)18-22-16(2,3)17(4,5)23-18/h8-11H,6-7,12H2,1-5H3,(H2,19,20,21)
(3)InChIKey: VJOWMSHFZXSAFY-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C17H27BN2O3/c1-6-7-12-19-15(21)20-14-10-8-13(9-11-14)18-22-16(2,3)17(4,5)23-18/h8-11H,6-7,12H2,1-5H3,(H2,19,20,21)
(5)Std. InChIKey: VJOWMSHFZXSAFY-UHFFFAOYSA-N

Product Name

1-BUTYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA

Urea,N-butyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Specification

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