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877134-77-5

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Basic Information
CAS No.: 877134-77-5
Name: 1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
Article Data: 3
Molecular Structure:
Molecular Structure of 877134-77-5 (1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA)
Formula: C13H19BN2O3
Molecular Weight: 262.116
Synonyms: Urea,[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- (9CI);N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea;
Density: 1.14 g/cm3
Melting Point: 124-128℃
Boiling Point: 379.7 °C at 760 mmHg
Flash Point: 183.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 73.58000
LogP: 2.24970
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Specification

The Urea,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C13H19BN2O3. With the CAS registry number 877134-77-5, the systematic name of this chemical is 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea.

Physical properties about Urea,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 73.58 Å2; (5)Index of Refraction: 1.535; (6)Molar Refractivity: 71.47 cm3; (7)Molar Volume: 229.4 cm3; (8)Polarizability: 28.33×10-24cm3; (9)Surface Tension: 41.7 dyne/cm; (10)Density: 1.14 g/cm3; (11)Flash Point: 183.4 °C; (12)Enthalpy of Vaporization: 62.77 kJ/mol; (13)Boiling Point: 379.7 °C at 760 mmHg; (14)Vapour Pressure: 5.76E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(NC(N)=O)cc2
(2)InChI: InChI=1/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)16-11(15)17/h5-8H,1-4H3,(H3,15,16,17)
(3)InChIKey: BVWCMMVUJQHJJE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)16-11(15)17/h5-8H,1-4H3,(H3,15,16,17)
(5)Std. InChIKey: BVWCMMVUJQHJJE-UHFFFAOYSA-N