CAS No.850589-31-0,4-(N-ISOPROPYLSULFAMOYL)PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850589-31-0
Name:	4-(N-ISOPROPYLSULFAMOYL)PHENYLBORONIC ACID

Formula:	C₉H₁₄BNO₄S
Molecular Weight:	243.091
Synonyms:	Boronicacid, [4-[[(1-methylethyl)amino]sulfonyl]phenyl]- (9CI);(4-Isopropylsulfamoylphenyl)boronic acid;[4-(Isopropylaminosulfonyl)phenyl]boronic acid;[4-[[(1-Methylethyl)amino]sulfonyl]phenyl]boronic acid;
Density:	1.31 g/cm³
Melting Point:	136-140 °C
Boiling Point:	425 °C at 760 mmHg
Flash Point:	210.8 °C
Hazard Symbols:	Xi
PSA:	95.01000
LogP:	0.52480

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Specification

The Boronicacid, B-[4-[[(1-methylethyl)amino]sulfonyl]phenyl]-, with the CAS registry number 850589-31-0, is also known as [4-[[(1-Methylethyl)amino]sulfonyl]phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Sulfonamides. This chemical's molecular formula is C₉H₁₄BNO₄S and molecular weight is 243.09. What's more, its systematic name is [4-(isopropylsulfamoyl)phenyl]boronic acid.

Physical properties of Boronicacid, B-[4-[[(1-methylethyl)amino]sulfonyl]phenyl]- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.12; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 95.01 Å²; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 59.62 cm³; (11)Molar Volume: 184.2 cm³; (12)Polarizability: 23.63×10^-24cm³; (13)Surface Tension: 52.5 dyne/cm; (14)Density: 1.31 g/cm³; (15)Flash Point: 210.8 °C; (16)Enthalpy of Vaporization: 71.64 kJ/mol; (17)Boiling Point: 425 °C at 760 mmHg; (18)Vapour Pressure: 5.58E-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)(O)O
(2)InChI: InChI=1S/C9H14BNO4S/c1-7(2)11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-7,11-13H,1-2H3
(3)InChIKey: PMNOLRUYDNBEFQ-UHFFFAOYSA-N