Boronicacid, B-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]- supplier

Name
3-(3-BROMOPHENYLSULPHONAMIDO)BENZENEBORONIC ACID 95
EINECS
CAS No. 913835-31-1
Density 1.71g/cm³
Solubility
Melting Point 97-100°C
Formula C₁₂H₁₁BBrNO₄S
Boiling Point 553.9 °C at 760 mmHg
Molecular Weight 356.0029
Flash Point 288.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[(3-bromophenyl)sulfonyl]amino]phenyl]- (9CI);
PSA 95.01000
LogP 2.08350

Boronicacid, B-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]- Specification

The Boronicacid, B-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]-, with CAS registry number 913835-31-1, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Bromides; (4)Sulfonamides. It has the systematic name of [3-[(3-bromophenyl)sulfonylamino]phenyl]boronic acid. And the chemical formula of this chemical is C₁₂H₁₁BBrNO₄S.

Physical properties of Boronicacid, B-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 2.81; (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: 1.678; (10)Molar Refractivity: 78.18 cm³; (11)Molar Volume: 207.2 cm³; (12)Polarizability: 30.99×10^-24cm³; (13)Surface Tension: 71.6 dyne/cm; (14)Density: 1.71 g/cm³; (15)Flash Point: 288.8 °C; (16)Enthalpy of Vaporization: 87.85 kJ/mol; (17)Boiling Point: 553.9 °C at 760 mmHg; (18)Vapour Pressure: 4.19E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)NS(=O)(=O)c2cccc(c2)Br)(O)O
(2)InChI: InChI=1/C12H11BBrNO4S/c14-10-4-2-6-12(8-10)20(18,19)15-11-5-1-3-9(7-11)13(16)17/h1-8,15-17H
(3)InChIKey: AJQSIDSDMAZIHA-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H11BBrNO4S/c14-10-4-2-6-12(8-10)20(18,19)15-11-5-1-3-9(7-11)13(16)17/h1-8,15-17H
(5)Std. InChIKey: AJQSIDSDMAZIHA-UHFFFAOYSA-N

Product Name

3-(3-BROMOPHENYLSULPHONAMIDO)BENZENEBORONIC ACID 95

Boronicacid, B-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]- Specification

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