化工社化工社 化学情報印刷レポート · 研究参考用
HCID 102124635作成日：2026年11月4日
3,6-Bis(5-bromopyridin-2-yl)-2,5-bis(2-octyldodecyl)-2,5-dihydropyrrolo(3,4-c)pyrrole-1,4-dione
DPP93 · PyDPP · DPPDPy2Br · 3,6-bis(5-bromopyridin-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione · 3,6-Bis(5-bromo-2-pyridinyl)-2,5-dihydro-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4-dione · Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(5-bromo-2-pyridinyl)-2,5-dihydro-2,5-bis(2-octyldodecyl)- · IN1318, 3,6-Bis(5-bromopyridin-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
https://huagongshe.com/ja/chemical/102124635
識別子と物理属性
| CAS No. | 1455028-34-8 |
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| 分子式 | C56H88Br2N4O2 |
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| 平均分子量 | 1,009.1 g/mol |
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| 単同位体質量 | 1,006.5274 g/mol |
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| SMILES | CCCCCCCCCCC(CCCCCCCC)CN1C(=O)C2=C(c3ccc(Br)cn3)N(CC(CCCCCCCC)CCCCCCCCCC)C(=O)C2=C1c1ccc(Br)cn1 |
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| InChIKey | XGBCRYVWQVLWLW-UHFFFAOYSA-N |
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| PubChem CID | 102124635 |
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| EC No. | 890-915-9 |
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化学・物理的性質
| XLogP | 20.8 |
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| 極性表面積 | 66.4 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 38 |
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| 重原子数 | 64 |
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| 形式電荷 | 0 |
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| 複雑度 | 1,250 |
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| 沸点 | 925.6±65.0 °C(Predicted) |
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| 密度 | 1.17±0.1 g/cm3(Predicted) |
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| pKa（酸解離定数） | 3.71±0.29(Predicted) |
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| 外観・状態 | powder |
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| 色 | Red/pink |
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安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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用途
説明
3,6-Bis(5-bromopyridin-2-yl)-2,5-bis(2-octyldodecyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (DPPDPy2Br) isapyridine-flanked diketopyrrolopyrrole building block for the synthesis of n-type polymer semiconductors, in the application of OFETs and OPVs. Asbothdiketopyrrolopyrroleand pyridyl units areelectron-deficient, they lower the HOMO energy level of the polymer semiconductors - making the polymer suitable as anelectron acceptor with good electron mobilities.
