Introduction：Basic information about CAS 68413-53-6|1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid |
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| CAS Number | 68413-53-6 | Molecular Weight | 666.03000 |
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| Density | 1.77g/cm3 | Boiling Point | / |
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| Molecular Formula | C26H18ClF2N5O8S2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1-amino-4-[2-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-4-methyl-6-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid |
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Chemical & Physical Properties
| Density | 1.77g/cm3 |
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| Molecular Formula | C26H18ClF2N5O8S2 |
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| Molecular Weight | 666.03000 |
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| Exact Mass | 665.02500 |
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| PSA | 238.73000 |
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| LogP | 6.16100 |
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| Index of Refraction | 1.727 |
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| InChIKey | JMKBMSGQZSPJOC-UHFFFAOYSA-N |
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| SMILES | Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1 |
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