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