化工社化工社 化学情報印刷レポート · 研究参考用
HCID 69636作成日：2026年10月27日
1,1,2,3,4,4-ヘキサフルオロ-1,3-ブタジエン
ペルフルオロブタ-1,3-ジエン · ヘキサフルオロ-1,3-ブタジエン · ヘキサフルオロブタジエン · ヘキサフルオロブタ-1,3-ジエン · 1,1,2,3,4,4-ヘキサフルオロ-1,3-ブタジエン · ペルフルオロブタ１，３ジエン · Hexafluorobutadiene · Perfluorobutadiene
https://huagongshe.com/ja/chemical/69636
識別子と物理属性
| CAS No. | 685-63-2 |
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| 分子式 | C4F6 |
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| 平均分子量 | 162.03 g/mol |
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| 単同位体質量 | 161.99041932 g/mol |
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| SMILES | FC(F)=C(F)C(F)=C(F)F |
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| InChIKey | LGPPATCNSOSOQH-UHFFFAOYSA-N |
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| PubChem CID | 69636 |
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| EC No. | 211-681-0 |
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| DTXSID | DTXSID4060991 |
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| 現地名 | 1,1,2,3,4,4-ヘキサフルオロ-1,3-ブタジエン |
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化学・物理的性質
| XLogP | 1.8 |
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| 極性表面積 | 0 |
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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 | 6 |
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| 回転可能結合数 | 1 |
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| 重原子数 | 10 |
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| 形式電荷 | 0 |
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| 複雑度 | 160 |
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| 物質分類 | Other Classes -> Halogenated Aliphatics, Unsaturated |
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| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> OECD CategoryPFAS -> Other/unspecified |
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| SpringerMaterials Properties | Schoenflies notation |
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| Physical Description | CBIColorless odorless gasCompressed and liquefied[Matheson Tri-Gas MSDS] |
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| 融点 | -132°C |
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| 沸点 | 6-7°C |
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| 密度 | 1.553 |
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| 蒸気圧 | 176.8kPa at 20℃ |
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| 屈折率 | 1.378 |
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| 溶解度 | 230.5mg/L at 20℃ |
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| InChI | InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10 |
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| InChIKey | LGPPATCNSOSOQH-UHFFFAOYSA-N |
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| SMILES | C(/F)(\F)=C(/F)\C(\F)=C(\F)/F |
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| LogP（分配係数） | 2.24 at 25℃ |
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| CAS データベース | 685-63-2(CAS DataBase Reference) |
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| NISTの化学物質情報 | 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-(685-63-2) |
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| EPAの化学物質情報 | Hexafluoro-1,3-butadiene (685-63-2) |
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安全性と法規制
| GHS 分類 | DangerH220 (100%): Extremely flammable gas [Danger Flammable gases]P203, P210, P222, P261, P271, P280, P304+P340, P316, P321, P377, P381, P403, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 124 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 1,1,2,3,4,4-hexafluorobuta-1,3-diene (EC: 211-681-0) |
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| 有害性の概要 | May cause asphyxiaRapid release of compressed gas may cause frostbiteToxic by inhalation[Matheson Tri-Gas MSDS] See Hexachlorobutadiene. |
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| Hazard Classes and Categories | Flam. Gas 1 (100%) |
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| 暴露管理・個人防護 | TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016]. |
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| 有害作用 | Other Poison - Simple Asphyxiant |
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| TSCA 収載状態 | TSCA listed |
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| 輸送番号（UN） | 3161 |
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| 税関コード | 2903393940 |
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| 危険文句（R） | 11 |
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| 危険表示 | F |
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| hazard_note | Flammable |
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| 安全措置（S） | 16-23-33 |
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