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

Name
4-(5-OXOPYRAZOLIDIN-3-YL)PHENYLBORONIC ACID
EINECS
CAS No. 874290-64-9
Density 1.36 g/cm³
Solubility
Melting Point 187-189℃
Formula C₉H₁₁BN₂O₃
Boiling Point
Molecular Weight 206.01
Flash Point
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-(5-oxo-3-pyrazolidinyl)phenyl]- (9CI);
PSA 81.59000
LogP -0.91040

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

Product Name

4-(5-OXOPYRAZOLIDIN-3-YL)PHENYLBORONIC ACID

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

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