Boronic acid,B-[4-[(methylamino)sulfonyl]phenyl]- supplier

Name
(4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID
EINECS
CAS No. 226396-31-2
Article Data4
CAS DataBase
Density 1.42 g/cm³
Solubility
Melting Point 136-140
Formula C₇H₁₀BNO₄S
Boiling Point 418.9 °C at 760 mmHg
Molecular Weight 215.038
Flash Point 207.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Methylaminosulphonyl)benzene boronic acid 97%;
PSA 95.01000
LogP -0.25380

Boronic acid,B-[4-[(methylamino)sulfonyl]phenyl]- Specification

The Boronic acid,B-[4-[(methylamino)sulfonyl]phenyl]-, with the CAS registry number of 226396-31-2, is also known as 4-(Methylaminosulphonyl)benzene boronic acid 97%. It belongs to the product categories of blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C₇H₁₀BNO₄S and molecular weight is 215.03. What's more, its systematic name is [4-(Methylsulfamoyl)phenyl]boronic acid.

Physical properties about the Boronic acid,B-[4-[(methylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.24; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 95.01 Å²; (9)Index of Refraction: 1.582; (10)Molar Refractivity: 50.38 cm³; (11)Molar Volume: 150.9 cm³; (12)Surface Tension: 58.8 dyne/cm; (13)Density: 1.42 g/cm³; (14)Flash Point: 207.1 °C; (15)Enthalpy of Vaporization: 70.9 kJ/mol; (16)Boiling Point: 418.9 °C at 760 mmHg; (17)Vapour Pressure: 9.14E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)S(=O)(=O)NC)(O)O
(2) InChI: InChI=1/C7H10BNO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
(3) InChIKey: DOQOQZHSIBBHMY-UHFFFAOYAP

Product Name

(4-METHYLAMINOSULPHONYL)BENZENE BORONIC ACID

Boronic acid,B-[4-[(methylamino)sulfonyl]phenyl]- Specification

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