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Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-

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Name

Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-

EINECS N/A
CAS No. 871329-74-7 Density 1.41 g/cm3
PSA 95.45000 LogP -0.28560
Solubility N/A Melting Point 136-140 °C
Formula C11H16BNO5S Boiling Point 522.3 °C at 760 mmHg
Molecular Weight 285.129 Flash Point 269.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 871329-74-7 (2-METHYL-5-(N-MORPHOLINYLSULFONYL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [2-methyl-5-(4-morpholinylsulfonyl)phenyl]- (9CI);(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid;[2-Methyl-5-[(4-morpholinyl)sulfonyl]phenyl]boronic acid;

 

Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]- Specification

The Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]- is an organic compound with the formula C11H16BNO5S. The systematic name of this chemical is (2-methyl-5-morpholinosulfonyl-phenyl)boronic acid. With the CAS registry number 871329-74-7, it is also named as 2-Methyl-5-(N-morpholinylsulphonamido)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.

Physical properties about Boronic acid,B-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]- are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): 0.71; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 95.45 Å2; (8)Index of Refraction: 1.597; (9)Molar Refractivity: 68.83 cm3; (10)Molar Volume: 201.9 cm3; (11)Polarizability: 27.28×10-24cm3; (12)Surface Tension: 61.3 dyne/cm; (13)Density: 1.41 g/cm3; (14)Flash Point: 269.7 °C; (15)Enthalpy of Vaporization: 83.76 kJ/mol; (16)Boiling Point: 522.3 °C at 760 mmHg; (17)Vapour Pressure: 9.79E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)S(=O)(=O)N2CCOCC2)(O)O
(2)InChI: InChI=1/C11H16BNO5S/c1-9-2-3-10(8-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
(3)InChIKey: IGDNJOSXZREONA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H16BNO5S/c1-9-2-3-10(8-11(9)12(14)15)19(16,17)13-4-6-18-7-5-13/h2-3,8,14-15H,4-7H2,1H3
(5)Std. InChIKey: IGDNJOSXZREONA-UHFFFAOYSA-N

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