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| CAS No.: | 871329-60-1 |
|---|---|
| Name: | 3-(N-MORPHOLINYLSULPHONAMIDO)BENZENEBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C10H14BNO5S |
| Molecular Weight: | 271.102 |
| Synonyms: | [3-[(4-Morpholinyl)sulfonyl]phenyl]boronicacid;3-(Morpholinosulfonyl)phenylboronic acid;Boronicacid, [3-(4-morpholinylsulfonyl)phenyl]- (9CI); |
| Density: | 1.45 g/cm3 |
| Melting Point: | 144-148°C |
| Boiling Point: | 520.4 °C at 760 mmHg |
| Flash Point: | 268.5 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 22 |
| PSA: | 95.45000 |
| LogP: | -0.59400 |
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Specification
The Boronic acid,B-[3-(4-morpholinylsulfonyl)phenyl]-, with CAS registry number 871329-60-1, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Sulfonamides. It has the systematic name of (3-morpholinosulfonylphenyl)boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C10H14BNO5S.
Physical properties of Boronic acid,B-[3-(4-morpholinylsulfonyl)phenyl]-: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.22; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 95.45 Å2; (9)Index of Refraction: 1.606; (10)Molar Refractivity: 64.2 cm3; (11)Molar Volume: 186.1 cm3; (12)Polarizability: 25.45×10-24cm3; (13)Surface Tension: 64.2 dyne/cm; (14)Density: 1.45 g/cm3; (15)Flash Point: 268.5 °C; (16)Enthalpy of Vaporization: 83.52 kJ/mol; (17)Boiling Point: 520.4 °C at 760 mmHg; (18)Vapour Pressure: 1.18E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)N2CCOCC2)(O)O
(2)InChI: InChI=1/C10H14BNO5S/c13-11(14)9-2-1-3-10(8-9)18(15,16)12-4-6-17-7-5-12/h1-3,8,13-14H,4-7H2
(3)InChIKey: HIKVVOUXXNJGAK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H14BNO5S/c13-11(14)9-2-1-3-10(8-9)18(15,16)12-4-6-17-7-5-12/h1-3,8,13-14H,4-7H2
(5)Std. InChIKey: HIKVVOUXXNJGAK-UHFFFAOYSA-N