化工社化工社 化学情報印刷レポート · 研究参考用
HCID 175115作成日：2026年11月2日
7-Benzothiazolesulfonic acid, 2-(4-(2-(1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)-6-methyl-, ammonium sodium salt (1:1:1)
https://huagongshe.com/ja/chemical/175115
識別子と物理属性
| CAS No. | 72705-24-9 |
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| 分子式 | C26H26N5NaO9S3 |
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| 平均分子量 | 671.7 g/mol |
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| 単同位体質量 | 671.07903523 g/mol |
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| SMILES | COc1cc(S(=O)(=O)[O-])c(C)cc1NC(=O)C(N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(C)=O.[NH4+].[Na+] |
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| InChIKey | BPSOMXDZJFRMBW-UHFFFAOYSA-M |
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| PubChem CID | 175115 |
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| EC No. | 276-770-9 |
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| DTXSID | DTXSID40890240 |
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化学・物理的性質
| 極性表面積 | 253 |
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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 | 13 |
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| 回転可能結合数 | 7 |
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| 重原子数 | 44 |
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| 形式電荷 | 0 |
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| 複雑度 | 1,200 |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (119 of 119) of all reports.Not ClassifiedAggregated GHS information provided per 119 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Chemical: 7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, monoammonium monosodium saltPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: Ammonium sodium 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulphonatophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate (EC: 276-770-9) |
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| その他の安全情報 | IMAP assessments - 7-Benzothiazolesulfonic acid, 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methyl-, monoammonium monosodium salt: Human health tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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