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| CAS No.: | 380430-57-9 |
|---|---|
| Name: | 4-(Methylsulfonylamino)phenylboronic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H10BNO4S |
| Molecular Weight: | 215.038 |
| Synonyms: | AKOS BRN-0584;(4-METHYLSULFONYL)AMINOBENZENEBORONIC ACID;4-(METHYLSULFONYLAMINO)PHENYLBORONIC ACID;4-METHANESULFONYLAMINOPHENYLBORONIC ACID;4-N-(METHANESULFONAMIDE)PHENYLBORONIC ACID;N-4-METHANESULFONAMIDEPHENYLBORONIC ACID;Boronic acid, [4-[(methylsulfonyl)amino]phenyl]- (9CI);4-(Methylsulphonyl)aminobenzeneboronic acid 95% |
| Density: | 1.42 g/cm3 |
| Melting Point: | 148-154°C |
| Boiling Point: | 421.8 °C at 760 mmHg |
| Flash Point: | 208.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 95.01000 |
| LogP: | -0.10830 |
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Specification
The 4-(Methylsulfonylamino)phenylboronic acid, with CAS registry number 380430-57-9, belongs to the following product categories: (1)Amines; (2)Blocks; (3)Boronic Acids; (4)Sulfonamides. It has the systematic name of {4-[(methylsulfonyl)amino]phenyl}boronic acid. This chemical should be kept cold. And this chemical formula of this chemical is C7H10BNO4S.
Physical properties of 4-(Methylsulfonylamino)phenylboronic acid: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35.57; (8)ACD/KOC (pH 7.4): 32.74; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 50.38 cm3; (15)Molar Volume: 150.9 cm3; (16)Polarizability: 19.97×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 208.9 °C; (20)Enthalpy of Vaporization: 71.26 kJ/mol; (21)Boiling Point: 421.8 °C at 760 mmHg; (22)Vapour Pressure: 7.21E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4-(Methylsulfonylamino)phenylboronic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)B(O)O)C
(2)InChI: InChI=1/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
(3)InChIKey: NDVJJEADFLTFCD-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9-11H,1H3
(5)Std. InChIKey: NDVJJEADFLTFCD-UHFFFAOYSA-N