2-(N,N-Dimethylsulphamoyl)phenylboronic acid supplier

Name
2-(N,N-Dimethylsulphamoyl)phenylboronic acid
EINECS
CAS No. 178432-25-2
Article Data1
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₈H₁₂BNO₄S
Boiling Point 428.5 °C at 760 mmHg
Molecular Weight 229.065
Flash Point 213 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [2-[(dimethylamino)sulfonyl]phenyl]- (9CI);[2-(N,N-Dimethylsulfamoyl)phenyl]boronic acid;
PSA
LogP

2-(N,N-Dimethylsulphamoyl)phenylboronic acid Specification

This chemical is called [2-(Dimethylsulfamoyl)phenyl]boronic acid, and its CAS registry number is 178432-25-2. With the molecular formula of C₈H₁₂BNO₄S, its molecular weight is 229.06. Additionally, its product categories are Blocks; Boronic Acids; Sulfonamides; Boron, Nitrile, Thio,& TM-Cpds.

Other characteristics of the [2-(Dimethylsulfamoyl)phenyl]boronic acid can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 2.07; (6)ACD/BCF (pH 7.4): 1.67; (7)ACD/KOC (pH 5.5): 58.6; (8)ACD/KOC (pH 7.4): 47.08; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.22 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 55.24 cm³; (15)Molar Volume: 166.1 cm³; (16)Polarizability: 21.9×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 213 °C; (20)Enthalpy of Vaporization: 72.07 kJ/mol; (21)Boiling Point: 428.5 °C at 760 mmHg; (22)Vapour Pressure: 4.17E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccccc1B(O)O)N(C)C
2.InChI: InChI=1/C8H12BNO4S/c1-10(2)15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3
3.InChIKey: GCHDOHKUPJUTCB-UHFFFAOYAG

Product Name

2-(N,N-Dimethylsulphamoyl)phenylboronic acid

2-(N,N-Dimethylsulphamoyl)phenylboronic acid Specification

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