識別子と物理属性
| CAS No. | 152-75-0 |
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| 分子式 | C20H8Br4O5 |
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| 平均分子量 | 647.9 g/mol |
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| 単同位体質量 | 643.71052 g/mol |
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| SMILES | O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12 |
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| InChIKey | AZXGXVQWEUFULR-UHFFFAOYSA-N |
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| PubChem CID | 11049 |
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| ChEMBL | CHEMBL376503 |
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| ChEBI | CHEBI:86277 |
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| EC No. | 611-203-4 |
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| DTXSID | DTXSID8074651 |
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化学・物理的性質
| XLogP | 5.6 |
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| 極性表面積 | 83.8 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 5 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 29 |
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| 形式電荷 | 0 |
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| 複雑度 | 848 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | C.I. Acid red 87: Does not have an individual approval but may be used under an appropriate group standard |
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