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Boronic acid,B-[3-(aminosulfonyl)phenyl]-

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Name

Boronic acid,B-[3-(aminosulfonyl)phenyl]-

EINECS N/A
CAS No. 850568-74-0 Density 1.53 g/cm3
PSA 109.00000 LogP -0.20510
Solubility N/A Melting Point 260-266 °C
Formula C6H8BNO4S Boiling Point 496.9 °C at 760 mmHg
Molecular Weight 201.011 Flash Point 254.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 850568-74-0 ((3-AMINOSULPHONYL)BENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [3-(aminosulfonyl)phenyl]- (9CI);[3-(Dimethylsulfamoyl)phenyl]boronic acid;[3-Sulfamoylphenyl]boronic acid;[3-(Aminosulfonyl)phenyl]boronic acid;

 

Boronic acid,B-[3-(aminosulfonyl)phenyl]- Specification

The Boronic acid,B-[3-(aminosulfonyl)phenyl]-, with the CAS registry number 850568-74-0, is also known as 3-Boronobenzenesulphonamide. It belongs to the product categories of Blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C6H8BNO4S and molecular weight is 201.01. What's more, its systematic name is called (3-Sulfamoylphenyl)boronic acid.

Physical properties about Boronic acid,B-[3-(aminosulfonyl)phenyl]- are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 5; (3) #H bond donors: 4; (4) #Freely Rotating Bonds: 4; (5) Polar Surface Area: 109 Å2; (6) Index of Refraction: 1.617; (7) Molar Refractivity: 45.72 cm3; (8) Molar Volume: 130.5 cm3; (9) Surface Tension: 71.3 dyne/cm; (10) Density: 1.53 g/cm3; (11) Flash Point: 254.3 °C; (12) Enthalpy of Vaporization: 80.53 kJ/mol; (13) Boiling Point: 496.9 °C at 760 mmHg; (14) Vapour Pressure: 1.09E-10 mmHg at 25°C; (15) Melting Point: 260-266 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc(c1)S(=O)(=O)N)(O)O
(2) InChI: InChI=1/C6H8BNO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,(H2,8,11,12)
(3) InChIKey: PMNJSWJJYWZLHU-UHFFFAOYAR

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