化工社化工社 化学情報印刷レポート · 研究参考用
1,1,2-トリフルオロトリクロロエタン
1,1,2-トリフルオロ-1,2,2-トリクロロエタン · イスセオン113 · フレオン113TR-T · 1,1,2-トリクロロ-1,2,2-トリフルオロエタン · フロン-113 · フロン113 · アルクロンP · アサヒフロン113
識別子と物理属性
| CAS No. | 76-13-1 |
|---|---|
| 分子式 | C2Cl3F3 |
| 平均分子量 | 187.37 g/mol |
| 単同位体質量 | 185.901768 g/mol |
| SMILES | FC(F)(Cl)C(F)(Cl)Cl |
| InChIKey | AJDIZQLSFPQPEY-UHFFFAOYSA-N |
| PubChem CID | 6428 |
| ChEMBL | CHEMBL478511 |
| ChEBI | CHEBI:193131 |
| EC No. | 200-936-1 |
| DTXSID | DTXSID6021377 |
| 現地名 | 1,1,2-トリフルオロトリクロロエタン |
化学・物理的性質
| XLogP | 3.2 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 90 |
| LogP（分配係数） | log Kow = 3.163.30 |
| 臭い | Nearly odorlessOdor like carbon tetrachloride at high concentrationsFaint solvent odor |
| 密度 | 1.5635 at 77 °F (USCG, 1999) - Denser than waterwill sink1.5635 g/cu cm at 25 °CRelative density (water = 1): 1.56(77 °F): 1.561.57 g/mL at 25 °C(lit.) |
| Viscosity | 0.497 mPa.s at 48.9 °C (liquid)0.0108 mPa.s at 49 °C (gas) |
| Color/Form | LiquidColorless gasVolatile liquidColorless to water-white liquid ... [Note: A gas above 118 degrees F]Clear, dense, colorless liquid |
| 溶解度 | Insoluble (NTP, 1992)In water, 170 mg/L at 25 °CSoluble in ethanolmiscible with ethyl ether and benzeneSolubility in water, g/100ml at 20 °C: 0.02(77 °F): 0.02%0.17g/リットル0.02 g/100 mL。微溶性 |
| Corrosivity | ... 1,1,2-Trichloro-1,2,2-trifluoroethane will attack some forms of plastics, rubber, and coatings. |
| 沸点 | 117.9 °F at 760 mmHg (NTP, 1992)47.7 °C48 °C118 °F47-48 °C(lit.) |
| Decomposition | Decomposes on contact with hot surfaces or flames. This produces toxic and corrosive gases of hydrogen chloride, phosgene, hydrogen fluoride and carbonyl fluoride. Reacts violently with powdered metals. This generates fire and explosion hazard. Attacks magnesium and its alloys.Under certain conditions, /chlorofluorocarbon/ vapors may decompose on contact with flames or hot surfaces, creating the potential hazard of inhalation of toxic decomposition products. /Chlorofluorocarbon/The appearance of toxic decomposition products serves as warning of the occurrence of thermal decompositon and detection of a sharp acrid odor warns of the presence of these products. /Fluorocarbons/ |
| 融点 | -33.5 °F (NTP, 1992)-36.22 °C-36 °C-31 °F−35 °C(lit.) |
| 蒸気密度 | 6.5 (Air = 1)Relative vapor density (air = 1): 6.56.5 (vs air) |
| 臭気閾値 | Odor Threshold Low: 45.0 [ppm]Odor Threshold High: 70.0 [ppm]Odor thresholds (detection at 45 ppm and recognition at 70 ppm) from CHEMINFOOdor detection in air: 4.5x10+1 ppmodor recognition in air: 6.8x10+1 ppm /Purities not specified/Low: 342 mg/cu mHigh: 1026 mg/cu m /From table/ |
| 蒸気圧 | 5.5 psi ( 20 °C) |
| 屈折率 | n20/D 1.358(lit.) |
| 引火点 | 195°C |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 無色のガス揮発性の液体。 |
| 色 | clear colorless |
| 由来生物 | human |
| 比熱容量 | Cp(liquid): 0.91 J/(g·K), at 25℃ |
| BRN | 1740335 |
| ヘンリー定数 | 0.154, 0.215, 0.245, 0.319, and 0.321 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al., 1988) |
| 誘電率 | 2.6(21℃) |
| 安定性 | 安定。不燃性。アルカリ金属、反応性金属、マグネシウム、亜鉛、アルミニウムとは混和しません。 |
| InChI | 1S/C2Cl3F3/c3-1(4,6)2(5,7)8 |
| InChIKey | AJDIZQLSFPQPEY-UHFFFAOYSA-N |
| LogP（分配係数） | 3.160 |
| CAS データベース | 76-13-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Ethane, 1,1,2-trichloro-1,2,2-trifluoro-(76-13-1) |
| EPAの化学物質情報 | CFC-113 (76-13-1) |
化学的特性
colourless liquid or gas
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.4% (5 of 206) of reports.WarningH319 (70.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H411 (93.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H420 (32%): Harms public health and the environment by destroying ozone in the upper atmosphere [Warning Hazardous to the ozone layer]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501, and P502 (click each P-code to see the statement)Aggregated GHS information provided per 206 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 206 reports by companies.There are 8 notifications provided by 201 of 206 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Ethane, 1,1,2-trichloro-1,2,2-trifluoro-Hazard Traits - Hepatotoxicity and Digestive System ToxicityAuthoritative List - CA MCLsCWA 303(d)Report - if used as a fragrance or flavor ingredientEthane, 1,1,2-trichloro-1,2,2-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,2-trichloro-1,2,2-trifluoro- 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)1,1,2-Trichlorotrifluoroethane: Does not have an individual approval but may be used under an appropriate group standard |
| 輸送ラベル（DOT） | Class 9 |
| 火災危険 | Special Hazards of Combustion Products: Toxic gases including hydrogen chloride, hydrogen fluoride, and very small amounts of phosgene, fluorine and chlorine are produced.Behavior in Fire: While no flash point is reported, the material may burn if ignited by a high intensity heat source. (USCG, 1999) |
用途
解説
メタン，エタンなど低級炭化水素の水素原子を，フッ素を主体とするハロゲン原子で置換した化合物の化学工業製品としての慣用名．最初，米国のdu Pont社で商品化され，Freonの名でよばれたが，同じ製品をわが国ではフロンという．多くの種類があって，フロンlmnのような番号で表示される．ここで，lは炭素原子数から1を引いた数，mは水素原子数に1を足した数，nはフッ素原子数，残りは塩素原子数を表す．たとえば，フロン113はC2H0F3Cl3である．用途として冷媒，エーロゾル噴霧剤，半導体製造プロセス(エッチング)用などがある．分解しにくいため成層圏にまで拡散し，成層圏のオゾン層を破壊する可能性が指摘されている．オゾン層の破壊は皮膚がんの増大や気候の変動をもたらす危険性がある．
使用
Dry-cleaning solvent, fire extinguishers, to make chlorotrifluoroethylene, blowing agent, polymer intermediate, solvent drying, drying electronic parts and precision equipment.
一般的な説明
Colorless liquid with a sweet, ether-like odor. Sinks in water.
製法・合成法
純化方法
Wash it with water, then with weak alkali. Dry it with CaCl2 or H2SO4 and distil it. [Locke et al. J Am Chem Soc 56 1726 1934, Beilstein 1 III 157, 1 IV 142.]