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Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]-

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Name

Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]-

EINECS N/A
CAS No. 874290-64-9 Density 1.36 g/cm3
PSA 81.59000 LogP -0.91040
Solubility N/A Melting Point 187-189℃
Formula C9H11BN2O3 Boiling Point N/A
Molecular Weight 206.01 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 874290-64-9 (4-(5-OXOPYRAZOLIDIN-3-YL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-(5-oxo-3-pyrazolidinyl)phenyl]- (9CI);

 

Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]- Specification

The Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]-, with CAS registry number 874290-64-9, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-(5-oxopyrazolidin-3-yl)phenyl]boronic acid. This chemical should  be kept cold. And the chemical formula of this chemical is C9H11BN2O3.

Physical properties of Boronic acid,B-[4-(5-oxo-3-pyrazolidinyl)phenyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 81.59 Å2; (6)Index of Refraction: 1.614; (7)Molar Refractivity: 52.53 cm3; (8)Molar Volume: 150.5 cm3; (9)Polarizability: 20.82×10-24cm3; (10)Surface Tension: 60.7 dyne/cm; (11)Density: 1.36 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C2CC(=O)NN2)(O)O
(2)InChI: InChI=1/C9H11BN2O3/c13-9-5-8(11-12-9)6-1-3-7(4-2-6)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)
(3)InChIKey: INZPXASHKGKJCN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H11BN2O3/c13-9-5-8(11-12-9)6-1-3-7(4-2-6)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)
(5)Std. InChIKey: INZPXASHKGKJCN-UHFFFAOYSA-N

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