Boronic acid, B-[4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- supplier

Name
4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98
EINECS
CAS No. 913835-55-9
Density 1.32 g/cm³
Solubility
Melting Point 98-102°C
Formula C₁₆H₂₀BNO₅S
Boiling Point 552.7 °C at 760 mmHg
Molecular Weight 349.2097
Flash Point 288 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid, [4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- (9CI);
PSA 95.45000
LogP 1.66660

Boronic acid, B-[4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- Specification

The Boronic acid, B-[4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-, with CAS registry number 913835-55-9, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[ethyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₁₆H₂₀BNO₅S.

Physical properties of Boronic acid, B-[4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 2.91; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 95.45 Å²; (9)Index of Refraction: 1.605; (10)Molar Refractivity: 90.95 cm³; (11)Molar Volume: 263.7 cm³; (12)Polarizability: 36.05×10^-24cm³; (13)Surface Tension: 58.2 dyne/cm; (14)Density: 1.32 g/cm³; (15)Flash Point: 288 °C; (16)Enthalpy of Vaporization: 87.69 kJ/mol; (17)Boiling Point: 552.7 °C at 760 mmHg; (18)Vapour Pressure: 4.76E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)N(CC)Cc2ccc(cc2)OC)(O)O
(2)InChI: InChI=1/C16H20BNO5S/c1-3-18(12-13-4-8-15(23-2)9-5-13)24(21,22)16-10-6-14(7-11-16)17(19)20/h4-11,19-20H,3,12H2,1-2H3
(3)InChIKey: YDJYSSQVBYJDIJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C16H20BNO5S/c1-3-18(12-13-4-8-15(23-2)9-5-13)24(21,22)16-10-6-14(7-11-16)17(19)20/h4-11,19-20H,3,12H2,1-2H3
(5)Std. InChIKey: YDJYSSQVBYJDIJ-UHFFFAOYSA-N

Product Name

4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98

Boronic acid, B-[4-[[ethyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- Specification

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