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Boronic acid,B-[5-[(dimethylamino)sulfonyl]-2-methylphenyl]-

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Name

Boronic acid,B-[5-[(dimethylamino)sulfonyl]-2-methylphenyl]-

EINECS N/A
CAS No. 871332-99-9 Density 1.33 g/cm3
PSA 86.22000 LogP 0.00590
Solubility N/A Melting Point 86-92 °C
Formula C9H14BNO4S Boiling Point 440.7 °C at 760 mmHg
Molecular Weight 243.091 Flash Point 220.3 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 871332-99-9 (5-(N,N-DIMETHYLSULFAMOYL)-2-METHYLPHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [5-[(dimethylamino)sulfonyl]-2-methylphenyl]- (9CI);

 

Boronic acid,B-[5-[(dimethylamino)sulfonyl]-2-methylphenyl]- Specification

The Boronic acid,B-[5-[(dimethylamino)sulfonyl]-2-methylphenyl]- is an organic compound with the formula C9H14BNO4S. The systematic name of this chemical is [5-(dimethylsulfamoyl)-2-methyl-phenyl]boronic acid. With the CAS registry number 871332-99-9, it is also named as 5-(N,N-Dimethylsulphamoyl)-2-methylbenzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.

Physical properties about Boronic acid,B-[5-[(dimethylamino)sulfonyl]-2-methylphenyl]- are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 0.95; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 86.22 Å2; (8)Index of Refraction: 1.571; (9)Molar Refractivity: 59.86 cm3; (10)Molar Volume: 182 cm3; (11)Polarizability: 23.73×10-24cm3; (12)Surface Tension: 54.4 dyne/cm; (13)Density: 1.33 g/cm3; (14)Flash Point: 220.3 °C; (15)Enthalpy of Vaporization: 73.55 kJ/mol; (16)Boiling Point: 440.7 °C at 760 mmHg; (17)Vapour Pressure: 1.52E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)S(=O)(=O)N(C)C)(O)O
(2)InChI: InChI=1/C9H14BNO4S/c1-7-4-5-8(6-9(7)10(12)13)16(14,15)11(2)3/h4-6,12-13H,1-3H3
(3)InChIKey: ISKRAODOAGHCKV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H14BNO4S/c1-7-4-5-8(6-9(7)10(12)13)16(14,15)11(2)3/h4-6,12-13H,1-3H3
(5)Std. InChIKey: ISKRAODOAGHCKV-UHFFFAOYSA-N

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