Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]- supplier

Name
2-(PYRROLIDIN-1-YLSULPHONYL)BENZENEBORONIC ACID 97
EINECS
CAS No. 913835-83-3
Density 1.41g/cm³
Solubility
Melting Point 124-126°C
Formula C₁₀H₁₄BNO₄S
Boiling Point 479.9 °C at 760 mmHg
Molecular Weight 255.102
Flash Point 244 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid, [2-(1-pyrrolidinylsulfonyl)phenyl]- (9CI);
PSA 86.22000
LogP 0.16960

Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]- Specification

The Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]-, with CAS registry number 913835-83-3, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Sulfonamides; (4)Boron, Nitrile, Thio,& TM-Cpds. It has the systematic name of (2-pyrrolidin-1-ylsulfonylphenyl)boronic acid. This chemical should be kept cold.

Physical properties of Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]-: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.07; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 86.22 Å²; (9)Index of Refraction: 1.61; (10)Molar Refractivity: 62.46 cm³; (11)Molar Volume: 179.9 cm³; (12)Polarizability: 24.76×10^-24cm³; (13)Surface Tension: 62.8 dyne/cm; (14)Enthalpy of Vaporization: 78.4 kJ/mol; (15)Vapour Pressure: 5.11E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccccc1S(=O)(=O)N2CCCC2)(O)O
(2)InChI: InChI=1/C10H14BNO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2
(3)InChIKey: ONRDSHCJDLWHKN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H14BNO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2
(5)Std. InChIKey: ONRDSHCJDLWHKN-UHFFFAOYSA-N

Product Name

2-(PYRROLIDIN-1-YLSULPHONYL)BENZENEBORONIC ACID 97

Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]- Specification

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