Introduction：Basic information about CAS 623165-93-5|MRK 003, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | MRK 003 |
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| CAS Number | 623165-93-5 | Molecular Weight | 551.588 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 591.3±60.0 °C at 760 mmHg |
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| Molecular Formula | C25H31F6N3O2S | Melting Point | / |
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| MSDS | / | Flash Point | 311.4±32.9 °C |
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Names
| Name | MRK 003 |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 591.3±60.0 °C at 760 mmHg |
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| Molecular Formula | C25H31F6N3O2S |
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| Molecular Weight | 551.588 |
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| Flash Point | 311.4±32.9 °C |
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| Exact Mass | 551.204102 |
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| PSA | 61.03000 |
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| LogP | 4.74 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.568 |
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| InChIKey | NKHUILHBYOOZDF-OWOJBTEDSA-N |
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| SMILES | O=S1(=O)NC2(CN1CC(F)(F)F)C1CCC2Cc2cc(C=CCN3CCC(C(F)(F)F)CC3)ccc2C1 |
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Synonyms
| (3'R,6S,9R)-5'-(2,2,2-trifluoroethyl)-2-((E)-3-(4-(trifluoromethyl)piperidin-1-yl)prop-1-en-1-yl)-5,6,7,8,9,10-hexahydrospiro[6,9-methanobenzo[8]annulene-11,3'-[1,2,5]thiadiazolidine] 1',1'-dioxide |
| (1'R,3R,10'S)-5-(2,2,2-Trifluoroethyl)-5'-{(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl}spiro[1,2,5-thiadiazolidine-3,13'-tricyclo[8.2.1.0]trideca[3,5,7]triene] 1,1-dioxide |
| (6S,9R,11R)-5'-(2,2,2-trifluoroethyl)-2-{(1E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-en-1-yl}-5,6,7,8,9,10-hexahydrospiro[6,9-methanobenzo[8]annulene-11,3'-[1,2,5]thiadiazolidine] 1',1'-dioxide |
