Introduction：Basic information about CAS 112811-90-2|2-THIOBENZYL NICOTINIC ACID, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-THIOBENZYL NICOTINIC ACID |
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| CAS Number | 112811-90-2 | Molecular Weight | 245.297 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 416.8±55.0 °C at 760 mmHg |
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| Molecular Formula | C13H11NO2S | Melting Point | 188-190ºC |
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| MSDS | / | Flash Point | 205.8±31.5 °C |
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Names
| Name | 2-benzylsulfanylpyridine-3-carboxylic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 416.8±55.0 °C at 760 mmHg |
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| Melting Point | 188-190ºC |
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| Molecular Formula | C13H11NO2S |
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| Molecular Weight | 245.297 |
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| Flash Point | 205.8±31.5 °C |
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| Exact Mass | 245.051056 |
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| PSA | 75.49000 |
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| LogP | 1.64 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.634 |
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| InChIKey | OJNZDGDYAXCHPB-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cccnc1SCc1ccccc1 |
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2933399090 |
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Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-Pyridinecarboxylic acid, (6-thioxo-1,3-cyclohexadien-1-yl)methyl ester |
| MFCD00661380 |
| 2-Benzylsulfanyl-nicotinic acid |
| 2-(Benzylthio)pyridine-3-carboxylic Acid |
| 2-THIOBENZYL NICOTINIC ACID |
| (6-Thioxocyclohexa-1,3-dien-1-yl)methyl nicotinate |
| 2-(Benzylsulfanyl)nicotinic acid |
| 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]- |
| 2-(Benzylthio)nicotinic Acid |
| (6-Thioxo-1,3-cyclohexadien-1-yl)methyl nicotinate |
| 2-benzyl thio acid |
