1,1,1,2,3,3-ヘキサフルオロ-2-プロペン
ヘキサフルオロプロペン · 1,1,2,3,3,3-ヘキサフルオロ-1-プロペン · ヘキサフルオロ-2-プロペン · ヘキサフルオロプロピレン · ペルフルオロプロペン · ヘキサフルオロ-1-プロペン · 1,1,1,2,3,3-ヘキサフルオロ-2-プロペン · ヘキサフルオロプロペン (別名: ヘキサフルオロプロピレン)
識別子と物理属性
| CAS No. | 116-15-4 |
|---|---|
| 分子式 | C3F6 |
| 平均分子量 | 150.02 g/mol |
| 単同位体質量 | 149.99041932 g/mol |
| SMILES | FC(F)=C(F)C(F)(F)F |
| InChIKey | HCDGVLDPFQMKDK-UHFFFAOYSA-N |
| PubChem CID | 8302 |
| ChEMBL | CHEMBL4644489 |
| EC No. | 204-127-4 |
| DTXSID | DTXSID2026949 |
| 現地名 | 1,1,1,2,3,3-ヘキサフルオロ-2-プロペン |
化学・物理的性質
| XLogP | 1.9 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 126 |
| 物質分類 | Other Classes -> Halogenated Aliphatics, UnsaturatedReactive agents - 1st degree |
| PFAS | PFAS -> Other/unspecifiedPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Intentionally added food contact chemicals |
| SpringerMaterials Properties | Schoenflies notation |
| 臭い | Odorless gas |
| 密度 | 1.583 AT -40 °C/4 °C1.583 @ -40°C1,583 g/cm3 |
| Color/Form | Colorless gas |
| 沸点 | -29.6 °C-29.6 °C @760 [mm Hg]−28 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of ... /hydrogen fluoride/. |
| 融点 | -156.5 °C−153 °C(lit.) |
| 蒸気圧 | 4900.0 [mmHg]4.9X10+3 mm Hg at 25 °C /from experimentally derived coefficients/750 [mm Hg] @-30.6 °C587.952kPa at 25℃ |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Hexafluoropropylene is an odorless, colorless gas. It is noncombustible. It can asphyxiate by the displacement of air. Exposure of the container to prolonged heat or fire can cause it to rupture violently and rocket.LiquidGas VaporAn odorless, colorless, noncombustible gas that can act as a simple asphyxiant[CAMEO] |
| 屈折率 | 1.4000 |
| 外観・状態 | ガス |
| 溶解度 | 82mg/L at 28℃ |
| BRN | 1705671 |
| ヘンリー定数 | 2.9×10-6 mol/(m3Pa) at 25℃, Wilhelm et al. (1977) |
| 安定性 | 安定。アルカリ金属、粉末金属とは相容れない。 |
| 主な用途 | PFAS検査 |
| InChI | InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9 |
| InChIKey | HCDGVLDPFQMKDK-UHFFFAOYSA-N |
| SMILES | C(/F)(\F)=C(/F)\C(F)(F)F |
| LogP（分配係数） | 1.95 at 20℃ |
| CAS データベース | 116-15-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Propene, hexafluoro-(116-15-4) |
| EPAの化学物質情報 | Hexafluoropropene (116-15-4) |
| ECETOC JACC REPORT | Hexafluoropropylene (116-15-4) |
化学的特性
Hexafluoropropylene (HFP) is a colourless, odourless, non-flammable gas that is only slightly soluble in water. It is used as chemical intermediate primarily in the synthesis of fluoropolymers, fluoro-elastomers and fluorinated materials (e.g. perfluoropolyether functional fluids, oils and greases).
安全性と法規制
| GHS 分類 | WarningH332: Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P271, P304+P340, P317, P319, P403+P233, P405, and P501 (click each P-code to see the statement)H280 (89.5%): Contains gas under pressuremay explode if heated [Warning Gases under pressure]P203, P260, P261, P264, P270, P271, P273, P280, P304+P340, P308+P316, P317, P318, P319, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 1-Propene, 1,1,2,3,3,3-hexafluoro-1-Propene, 1,1,2,3,3,3-hexafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 1,1,2,3,3,3-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)Status: Active Update: 03-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15192Hexafluoropropene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - 1-Propene, 1,1,2,3,3,3-hexafluoro-: Human health tier I assessment |
| 輸送ラベル（DOT） | Non-Flammable Gas |
| 火災危険 | Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:· Some may burn but none ignite readily. |
| 健康有害性 | Excerpt from ERG Guide 126 [Gases - Compressed or Liquefied (Including Refrigerant Gases)]:· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas. |
| 有害性の概要 | Produces acute tubular necrosis in experimental animals exposed to high concentrations[HSDB] A respiratory tract irritantThe kidney is the target organ[ACGIH] |
| 輸送番号・ガイド（DOT） | 1858 126 |
用途
用途
共重合用原料(化学工業日報社)医薬?樹脂原料、食品添加物(香料、香辛料)(化学工業日報社)
使用
Hexafluoropropene is used in the synthesis of polyvinylidene fluoride-co-hexafluoropropylene, a polymer which is currently being used in various fields of the nano and electronic sector ranging from membranes to nanoparticles.
一般的な説明
Hexafluoropropylene is an odorless, colorless gas. Hexafluoropropylene is noncombustible. Hexafluoropropylene can asphyxiate by the displacement of air. Exposure of the container to prolonged heat or fire can cause Hexafluoropropylene to rupture violently and rocket.
製法・合成法
製造方法
Hexafluoropropylene can be produced by pyrolysis of tetrafluoroethylene (TFE):3 CF2=CF2 → 2 CF3CF=CFThis reaction is carried out in a closed continuous reactor at 600 to 900°C. The yield can be improved at low partial pressure, achieved either by operating under reduced total pressure (down to 0.1 bar) or by injecting an inert diluent such as steam or CO2.Significant quantities of by-products, including the highly toxic perfluoroisobutylene (PFIB), are formed during the pyrolysis of TFE. Such by-products are either incinerated directly or are collected and transported for incineration at a remote facility.Hexafluoropropylene can also be prepared from chlorodifluoromethane, or produced from various chlorofluorocarbons.