Introduction：Basic information about CAS 1558079-49-4|IR-825, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | IR-825 |
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| CAS Number | 1558079-49-4 | Molecular Weight | 904.32700 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C54H48BrClN2O4 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | ir825 |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Molecular Formula | C54H48BrClN2O4 |
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| Molecular Weight | 904.32700 |
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| Exact Mass | 902.24900 |
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| PSA | 80.85000 |
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| LogP | 13.98900 |
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| InChIKey | BAUXJOQQUWDIAO-UHFFFAOYSA-N |
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| SMILES | CC1(C)C(=CC=C2CCCC(C=CC3=[N+](Cc4ccc(C(=O)O)cc4)c4ccc5ccccc5c4C3(C)C)=C2Cl)N(Cc2ccc(C(=O)O)cc2)c2ccc3ccccc3c21.[Br-] |
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| Storage condition | 2-8 °C |
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Safety Information
Synonyms
| 3-(4-carboxybenzyl)-2-((E)-2-((E)-3-((E)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide |
