Boronic acid,B-[3-[(diethylamino)sulfonyl]phenyl]- supplier

Name
3-(N,N-DIETHYLSULPHONAMIDO)BENZENEBORONIC ACID
EINECS
CAS No. 871329-58-7
Density 1.29 g/cm³
Solubility
Melting Point 120-123 °C
Formula C₁₀H₁₆BNO₄S
Boiling Point 450.3 °C at 760 mmHg
Molecular Weight 257.11
Flash Point 226.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[(diethylamino)sulfonyl]phenyl]- (9CI);
PSA 86.22000
LogP 0.47770

Boronic acid,B-[3-[(diethylamino)sulfonyl]phenyl]- Specification

The Boronic acid, B-[3-[(diethylamino)sulfonyl]phenyl]-, with the CAS registry number of 871329-58-7, is also known as 3-N,N-Diethylsulfamoylphenylboronic acid and 3-(N,N-Diethylsulphonamido)benzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C₁₀H₁₆BNO₄S and molecular weight is 257.11. What's more, its systematic name is called [3-(Diethylsulfamoyl)phenyl]boronic acid.

Physical properties about Boronic acid, B-[3-[(diethylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.58; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 86.22 Å²; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 64.5 cm³; (11)Molar Volume: 198.7 cm³; (12)Polarizability: 25.57×10^-24 cm³; (13)Surface Tension: 52.9 dyne/cm; (14)Density: 1.29 g/cm³; (15)Flash Point: 226.2 °C; (16)Enthalpy of Vaporization: 74.74 kJ/mol; (17)Boiling Point: 450.3 °C at 760 mmHg; (18)Melting Point: 120-123 °C; (19)Vapour Pressure: 6.75E-09 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc(c1)S(=O)(=O)N(CC)CC)(O)O
(2) InChI: InChI=1/C10H16BNO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
(3) InChIKey: PSMCZVAPCNNYTE-UHFFFAOYAE

Product Name

3-(N,N-DIETHYLSULPHONAMIDO)BENZENEBORONIC ACID

Boronic acid,B-[3-[(diethylamino)sulfonyl]phenyl]- Specification

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