| Identification | |
| Name: | Benzoic acid,5-amino-2-[(methylsulfonyl)oxy]-, methyl ester |
| Synonyms: | Methyl3-amino-6-methanesulfonyloxybenzoate; |
| CAS: | 80430-22-4 |
| Molecular Formula: | C9H11NO5S |
| Molecular Weight: | 245.25 |
| InChI: | InChI=1/C9H11NO5S/c1-14-9(11)7-5-6(10)3-4-8(7)15-16(2,12)13/h3-5H,10H2,1-2H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.404 g/cm3 |
| Refractive index: | 1.562 |
| Specification: |
The Methyl 5-amino-2-methansulfonyloxybenzoate, with the CAS registry number 80430-22-4, is also known as Methyl 3-amino-6-methansulfonyloxybenzoate. This chemical's molecular formula is C9H11NO5S and formula weight is 245.25. What's more, its systematic name is called methyl 5-amino-2-[(methylsulfonyl)oxy]benzoate. Physical properties of Methyl 5-amino-2-methansulfonyloxybenzoate: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 13.65; (4)ACD/KOC (pH 7.4): 13.66; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 104.07 Å2; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 56.66 cm3; (11)Molar Volume: 174.6 cm3; (12)Surface Tension: 56 dyne/cm; (13)Density: 1.404 g/cm3; (14)Flash Point: 233.5 °C; (15)Enthalpy of Vaporization: 72.35 kJ/mol; (16)Boiling Point: 462.5 °C at 760 mmHg; (17)Vapour Pressure: 9.83E-09 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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