CAS No.221290-14-8,3-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	221290-14-8
Name:	3-(TERT-BUTYLAMINOSULPHONYL)BENZENEBORONIC ACID

Formula:	C₁₀H₁₆BNO₄S
Molecular Weight:	257.118
Synonyms:	Boronicacid, [3-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]- (9CI);3-(tert-Butylsulfamoyl)phenylboronic acid;
Density:	1.28g/cm³
Melting Point:	120-124°C
Boiling Point:	449.3 °C at 760 mmHg
Flash Point:	225.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	95.01000
LogP:	0.91490

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Specification

The Boronic acid,B-[3-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-, with CAS registry number 221290-14-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Sulfonamides. It has the systematic name of [3-(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-[3-[[(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): 1.34; (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: 1.554; (10)Molar Refractivity: 64.28 cm³; (11)Molar Volume: 200.3 cm³; (12)Polarizability: 25.48×10^-24cm³; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.28 g/cm³; (15)Flash Point: 225.5 °C; (16)Enthalpy of Vaporization: 74.6 kJ/mol; (17)Boiling Point: 449.3 °C at 760 mmHg; (18)Vapour Pressure: 7.4E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Boronic acid,B-[3-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)NC(C)(C)C)(O)O
(2)InChI: InChI=1/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-5-8(7-9)11(13)14/h4-7,12-14H,1-3H3
(3)InChIKey: LSSASZPAKWQFHO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-6-4-5-8(7-9)11(13)14/h4-7,12-14H,1-3H3
(5)Std. InChIKey: LSSASZPAKWQFHO-UHFFFAOYSA-N