CAS No.850589-32-1,4-(N-BUTYLSULPHONAMIDO)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850589-32-1
Name:	4-(N-BUTYLSULPHONAMIDO)BENZENEBORONIC ACID

Formula:	C₁₀H₁₆BNO₄S
Molecular Weight:	257.11
Synonyms:	Boronicacid, [4-[(butylamino)sulfonyl]phenyl]- (9CI);
Density:	1.28 g/cm³
Melting Point:	124-126 °C
Boiling Point:	441.2 °C at 760 mmHg
Flash Point:	220.6 °C
Hazard Symbols:	Xi
PSA:	95.01000
LogP:	0.91650

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Specification

The Boronic acid,B-[4-[(butylamino)sulfonyl]phenyl]-, with the CAS registry number 850589-32-1, is also known as 4-(N-Butylsulphonamido)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 [4-(Butylsulfamoyl)phenyl]boronic acid. This chemicals may cause inflammation to the skin or other mucous membranes. It should be put in a cold place.

Physical properties about Boronic acid,B-[4-[(butylamino)sulfonyl]phenyl]- are: (1) ACD/LogP: 1.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.94; (4) ACD/LogD (pH 7.4): 1.84; (5) #H bond acceptors: 5; (6) #H bond donors: 3; (7) #Freely Rotating Bonds: 7; (8) Polar Surface Area: 95.01 Å²; (9) Index of Refraction: 1.556; (10) Molar Refractivity: 64.27 cm³; (11) Molar Volume: 199.9 cm³; (12) Surface Tension: 52.4 dyne/cm; (13) Density: 1.28 g/cm³; (14) Flash Point: 220.6 °C; (15) Enthalpy of Vaporization: 73.61 kJ/mol; (16) Boiling Point: 441.2 °C at 760 mmHg; (17) Vapour Pressure: 1.47E-08 mmHg at 25 °C; (18) Melting Point: 124-126 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)S(=O)(=O)NCCCC)(O)O
(2) InChI: InChI=1/C10H16BNO4S/c1-2-3-8-12-17(15,16)10-6-4-9(5-7-10)11(13)14/h4-7,12-14H,2-3,8H2,1H3
(3) InChIKey: BEBIGVQNUYZEPK-UHFFFAOYAV