Boronic acid,B-[4-[[(methylsulfonyl)amino]methyl]phenyl]- supplier

Name
(4-METHANESULFONYLAMINOMETHYL)PHENYL BORONIC ACID
EINECS
CAS No. 850568-38-6
Density 1.36 g/cm³
Solubility Insoluble in water. Soluble in organic solvents.
Melting Point 237-239 °C
Formula C₈H₁₂BNO₄S
Boiling Point 455.3 °C at 760 mmHg
Molecular Weight 229.065
Flash Point 229.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[[(methylsulfonyl)amino]methyl]phenyl]- (9CI);[4-((Methylsulfonylamino)methyl)phenyl]boronic acid;(4-Methanesulfonylaminomethyl)phenylboronic acid;
PSA 95.01000
LogP -0.11270

Boronic acid,B-[4-[[(methylsulfonyl)amino]methyl]phenyl]- Specification

The Boronic acid,B-[4-[[(methylsulfonyl)amino]methyl]phenyl]-, with the CAS registry number 850568-38-6, is also known as (4-Methanesulfonylaminomethyl)phenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Sulfonamides. This chemical's molecular formula is C₈H₁₂BNO₄S and molecular weight is 229.06. What's more, its systematic name is (4-{[(methylsulfonyl)amino]methyl}phenyl)boronic acid.

Physical properties of Boronic acid,B-[4-[[(methylsulfonyl)amino]methyl]phenyl]- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.41; (8)ACD/KOC (pH 7.4): 28.39; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 95.01 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 55.01 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 21.8×10^-24cm³; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 229.2 °C; (20)Enthalpy of Vaporization: 75.35 kJ/mol; (21)Boiling Point: 455.3 °C at 760 mmHg; (22)Vapour Pressure: 4.4E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(CNS(C)(=O)=O)cc1
(2)InChI: InChI=1S/C8H12BNO4S/c1-15(13,14)10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10-12H,6H2,1H3
(3)InChIKey: DFNWPOUFTMAIGJ-UHFFFAOYSA-N

Product Name

(4-METHANESULFONYLAMINOMETHYL)PHENYL BORONIC ACID

Boronic acid,B-[4-[[(methylsulfonyl)amino]methyl]phenyl]- Specification

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