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Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-

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Name

Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-

EINECS N/A
CAS No. 208516-15-8 Density 1.28 g/cm3
PSA 95.01000 LogP 0.91490
Solubility N/A Melting Point 128-132°C
Formula C10H16BNO4S Boiling Point 427.2 °C at 760 mmHg
Molecular Weight 257.11 Flash Point 212.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 208516-15-8 (4-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]- (9CI);4-(N-tert-Butylsulfamoyl)benzeneboronic acid;

 

Boronic acid,B-[4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]- 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

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