Name: 5-(N,N-DIETHYLSULFAMOYL)-2-METHYLPHENYLBORONIC ACID
SKU: 871329-80-5

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Basic Information

Molecular Structure:
CAS No.:	871329-80-5
Name:	5-(N,N-DIETHYLSULFAMOYL)-2-METHYLPHENYLBORONIC ACID

Formula:	C₁₁H₁₈BNO₄S
Molecular Weight:	271.14
Synonyms:	Boronicacid, [5-[(diethylamino)sulfonyl]-2-methylphenyl]- (9CI);
Density:	1.26 g/cm³
Melting Point:	146-152 °C
Boiling Point:	457.7 °C at 760 mmHg
Flash Point:	230.6 °C
Hazard Symbols:	Xi
PSA:	86.22000
LogP:	0.78610

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Specification

The Boronic acid,B-[5-[(diethylamino)sulfonyl]-2-methylphenyl]- is an organic compound with the formula C₁₁H₁₈BNO₄S. The systematic name of this chemical is [5-(diethylsulfamoyl)-2-methyl-phenyl]boronic acid. With the CAS registry number 871329-80-5, it is also named as 5-(N,N-Diethylsulphamoyl)-2-methylbenzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.

Physical properties about Boronic acid,B-[5-[(diethylamino)sulfonyl]-2-methylphenyl]- are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.07; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 7; (7)Polar Surface Area: 86.22 Å²; (8)Index of Refraction: 1.557; (9)Molar Refractivity: 69.12 cm³; (10)Molar Volume: 214.6 cm³; (11)Polarizability: 27.4×10^-24cm³; (12)Surface Tension: 51.3 dyne/cm; (13)Density: 1.26 g/cm³; (14)Flash Point: 230.6 °C; (15)nthalpy of Vaporization: 75.65 kJ/mol; (16)Boiling Point: 457.7 °C at 760 mmHg; (17)Vapour Pressure: 3.59E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)S(=O)(=O)N(CC)CC)(O)O
(2)InChI: InChI=1/C11H18BNO4S/c1-4-13(5-2)18(16,17)10-7-6-9(3)11(8-10)12(14)15/h6-8,14-15H,4-5H2,1-3H3
(3)InChIKey: ZMDFCDXLFOODQX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H18BNO4S/c1-4-13(5-2)18(16,17)10-7-6-9(3)11(8-10)12(14)15/h6-8,14-15H,4-5H2,1-3H3
(5)Std. InChIKey: ZMDFCDXLFOODQX-UHFFFAOYSA-N