Boronic acid,B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]- supplier

Name
2-METHYL-5-(PIPERIDIN-1-YLSULFONYL)PHENYLBORONIC ACID
EINECS
CAS No. 871333-00-5
Density 1.33 g/cm³
Solubility
Melting Point 132-136 °C
Formula C₁₂H₁₈BNO₄S
Boiling Point 499.3 °C at 760 mmHg
Molecular Weight 283.156
Flash Point 255.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [2-methyl-5-(1-piperidinylsulfonyl)phenyl]- (9CI);
PSA 86.22000
LogP 0.86810

Boronic acid,B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]- Specification

The Boronic acid,B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]- is an organic compound with the formula C₁₂H₁₈BNO₄S. The systematic name of this chemical is [2-methyl-5-(1-piperidylsulfonyl)phenyl]boronic acid. With the CAS registry number 871333-00-5, it is also named as 2-Methyl-5-(piperidin-1-ylsulphonyl)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.

Physical properties about Boronic acid,B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]- are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.02; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 86.22 Å²; (8)Index of Refraction: 1.591; (9)Molar Refractivity: 71.72 cm³; (10)Molar Volume: 212.1 cm³; (11)Polarizability: 28.43×10^-24cm³; (12)Surface Tension: 57.8 dyne/cm; (13)Density: 1.33 g/cm³; (14)Flash Point: 255.8 °C; (15)Enthalpy of Vaporization: 80.84 kJ/mol; (16)Boiling Point: 499.3 °C at 760 mmHg; (17)Vapour Pressure: 8.65E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)S(=O)(=O)N2CCCCC2)(O)O
(2)InChI: InChI=1/C12H18BNO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
(3)InChIKey: QPJRVQFTOJXHOV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H18BNO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
(5)Std. InChIKey: QPJRVQFTOJXHOV-UHFFFAOYSA-N

Product Name

2-METHYL-5-(PIPERIDIN-1-YLSULFONYL)PHENYLBORONIC ACID

Boronic acid,B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]- Specification

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