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| CAS No.: | 15103-48-7 |
|---|---|
| Name: | PYRIDINE-2-SULFONIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C5H5NO3S |
| Molecular Weight: | 159.166 |
| Synonyms: | NSC 5081;Pyridine-2-sulfonic acid;2-Pyridinesulfonic acid (8CI)(9CI);alpha-Pyridinesulfonic acid; |
| EINECS: | 628-400-6 |
| Density: | 1.509 g/cm3 |
| Melting Point: | 244-249 °C |
| Solubility: | almost transparency |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2585 |
| PSA: | 75.64000 |
| LogP: | 1.40910 |
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Specification
The IUPAC name of Pyridine-2-sulfonic acid is pyridine-2-sulfonic acid. With the CAS registry number 15103-48-7, it is also named as alpha-Pyridinesulfonic acid. The product's category is Pyridines. In addition, its molecular formula is C5H5NO3S and molecular weight is 159.16.
The other characteristics of Pyridine-2-sulfonic acid can be summarized as: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.52; (4)ACD/LogD (pH 7.4): -4.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.64 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 34.9 cm3; (15)Molar Volume: 105.4 cm3; (16)Polarizability: 13.83×10-24cm3; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.509 g/cm3; (19)Melting point: 244-249 °C.
When you are using this chemical, please be cautious about it as the following: it may cause burns. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)c1ncccc1
(2)InChI: InChI=1/C5H5NO3S/c7-10(8,9)5-3-1-2-4-6-5/h1-4H,(H,7,8,9)
(3)InChIKey: KZVLNAGYSAKYMG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H5NO3S/c7-10(8,9)5-3-1-2-4-6-5/h1-4H,(H,7,8,9)
(5)Std. InChIKey: KZVLNAGYSAKYMG-UHFFFAOYSA-N