Boronic acid,B-[2-methyl-5-[[(phenylmethyl)amino]sulfonyl]phenyl]- supplier

Name
5-(N-BENZYLSULFAMOYL)-2-METHYLPHENYLBORONIC ACID
EINECS
CAS No. 871329-73-6
Density 1.34 g/cm³
Solubility
Melting Point 118-122 °C
Formula C₁₄H₁₆BNO₄S
Boiling Point 547 °C at 760 mmHg
Molecular Weight 305.16
Flash Point 284.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [2-methyl-5-[[(phenylmethyl)amino]sulfonyl]phenyl]- (9CI);
PSA 95.01000
LogP 1.62500

Boronic acid,B-[2-methyl-5-[[(phenylmethyl)amino]sulfonyl]phenyl]- Specification

The Boronic acid, B-[2-methyl-5-[[(phenylmethyl)amino]sulfonyl]phenyl]-, with the CAS registry number of 871329-73-6, is also known as 5-(N-Benzylsulfamoyl)-2-methylphenylboronic acid. It belongs to the product categories of Blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C₁₄H₁₆BNO₄S and molecular weight is 305.16. What's more, its systematic name is called [5-(Benzylsulfamoyl)-2-methyl-phenyl]boronic acid.

Physical properties about Boronic acid, B-[2-methyl-5-[[(phenylmethyl)amino]sulfonyl]phenyl]- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.38; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 95.01 Å²; (9)Index of Refraction: 1.621; (10)Molar Refractivity: 79.72 cm³; (11)Molar Volume: 226.4 cm³; (12)Polarizability: 31.6×10^-24 cm³; (13)Surface Tension: 59.9 dyne/cm; (14)Density: 1.34 g/cm³; (15)Flash Point: 284.6 °C; (16)Enthalpy of Vaporization: 86.95 kJ/mol; (17)Boiling Point: 547 °C at 760 mmHg; (18)Melting Point: 118-122 °C; (19)Vapour Pressure: 8.5E-13 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(ccc1C)S(=O)(=O)NCc2ccccc2)(O)O
(2) InChI: InChI=1/C14H16BNO4S/c1-11-7-8-13(9-14(11)15(17)18)21(19,20)16-10-12-5-3-2-4-6-12/h2-9,16-18H,10H2,1H3
(3) InChIKey: VFDVOIFZPBZUIB-UHFFFAOYAF

Product Name

5-(N-BENZYLSULFAMOYL)-2-METHYLPHENYLBORONIC ACID

Boronic acid,B-[2-methyl-5-[[(phenylmethyl)amino]sulfonyl]phenyl]- Specification

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