CAS No.208516-15-8,4-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	208516-15-8
Name:	4-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID

Formula:	C₁₀H₁₆BNO₄S
Molecular Weight:	257.11
Synonyms:	Boronicacid, [4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]- (9CI);4-(N-tert-Butylsulfamoyl)benzeneboronic acid;
Density:	1.28 g/cm³
Melting Point:	128-132°C
Boiling Point:	427.2 °C at 760 mmHg
Flash Point:	212.2 °C
Hazard Symbols:	Xi
PSA:	95.01000
LogP:	0.91490

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Specification

The Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-, with CAS registry number 208516-15-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Sulfonamides. It has the systematic name of [4-(tert-butylsulfamoyl)phenyl]boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₁₀H₁₆BNO₄S.

Physical properties of Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 9.18; (6)ACD/BCF (pH 7.4): 7.36; (7)ACD/KOC (pH 5.5): 170.05; (8)ACD/KOC (pH 7.4): 136.3; (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: 1.554; (14)Molar Refractivity: 64.28 cm³; (15)Molar Volume: 200.3 cm³; (16)Polarizability: 25.48×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 212.2 °C; (20)Enthalpy of Vaporization: 71.91 kJ/mol; (21)Boiling Point: 427.2 °C at 760 mmHg; (22)Vapour Pressure: 4.65E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)NC(C)(C)C)(O)O
(2)InChI: InChI=1/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-8(5-7-9)11(13)14/h4-7,12-14H,1-3H3
(3)InChIKey: BBTSLOMTYZIGGC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-8(5-7-9)11(13)14/h4-7,12-14H,1-3H3
(5)Std. InChIKey: BBTSLOMTYZIGGC-UHFFFAOYSA-N