1,1,2-トリクロロエタン
1,1,2-トリクロロエタン · 1,1,2-トリクロロエタン (1mg/mlメタノール溶液) [水質分析用] · ビニルトリクロリド · エタントリクロリド · β-トリクロロエタン · 1,2,2-トリクロロエタン · 1,1,2-トリクロロエタン標準原液 · １，１，２トリクロロエタン
識別子と物理属性
| CAS No. | 79-00-5 |
|---|---|
| 分子式 | C2H3Cl3 |
| 平均分子量 | 133.4 g/mol |
| 単同位体質量 | 131.93003314 g/mol |
| SMILES | ClCC(Cl)Cl |
| InChIKey | UBOXGVDOUJQMTN-UHFFFAOYSA-N |
| PubChem CID | 6574 |
| ChEBI | CHEBI:36018 |
| EC No. | 201-166-9 |
| DTXSID | DTXSID5021380 |
| 現地名 | 1,1,2-トリクロロエタン |
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 | 0 |
| 回転可能結合数 | 1 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 18.9 |
| 物質分類 | Hazardous Air Pollutants (HAPs)CarcinogensVolatile Organic Compound (VOC) |
| Solvents | Solvents -> Chlorinated Aliphatics |
| SpringerMaterials Properties | Schoenflies notation |
| 農薬 | Pesticide -> EPA IRIS |
| LogP（分配係数） | log Kow = 1.892.35 |
| 臭い | Pleasant odorSweet chloroform-like odor |
| 密度 | 1.44 at 68 °F (USCG, 1999) - Denser than waterwill sink1.4416 at 20 °C/4 °CRelative density (water = 1): 1.41.4397 @ 20°C1.435 g/mL at 25 °C (lit.) |
| Viscosity | 1.69 cP at 25 °C1.17 mm²/s at 25 °C |
| Color/Form | Clear, colorless liquid |
| 溶解度 | 1 to 5 mg/mL at 68 °F (NTP, 1992)Miscible with alcohol, ethers and many organic liquidsIn water, 4,590 mg/L at 25 °C... Soluble in water (4.50 g/L at 20 °C)Solubility in water, g/100ml at 20 °C: 0.45 (very poor)0.4%エタノールおよびクロロホルムに可溶 (US EPA, 1985)4g/L（20℃） |
| Corrosivity | Uninhibited 1,1,2-trichloroethane is corrosive to aluminum, iron, and zinc at reflux temperatures.1,1,2-Trichloroethane is highly corrosive to aluminum, iron, and zinc. Addition of water increses the rate of corrosion. |
| 沸点 | 235 °F at 760 mmHg (NTP, 1992)113-114 °C at 760 mm HgLatent heat of evaporation at BP: 68.7 cal/gIn presence of water, hydrolysis occurs at /1,1,2-trichloroehtane's/ boiling point237 °F110-115 °C (lit.) |
| 融点 | -37 °C |
| 蒸気圧 | 30.3 at 25 °C (quoted, Mackay et al., 1982) |
| 屈折率 | n20/D 1.471(lit.) |
| 引火点 | 11 °C |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| 比熱容量 | Cp(liquid): 1.13 J/(g·K)Cp(gas): 0.67 J/(g·K), at 25℃ |
| Merck | 14,9637 |
| BRN | 1731726 |
| ヘンリー定数 | 8.70 at 30 °C (headspace-GC, Sanz et al., 1997) |
| 誘電率 | 7.2800000000000002 |
| 安定性 | 安定。 |
| 主な用途 | 洗浄剤化粧品環境食品および飲料パーソナルケア |
| InChI | 1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2 |
| InChIKey | UBOXGVDOUJQMTN-UHFFFAOYSA-N |
| SMILES | ClCC(Cl)Cl |
| LogP（分配係数） | 2.05-2.49 at 20℃ and pH7 |
| CAS データベース | 79-00-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Ethane, 1,1,2-trichloro-(79-00-5) |
| EPAの化学物質情報 | 1,1,2-Trichloroethane (79-00-5) |
化学的特性
1,1,2-Trichloroethane is a colorless, nonflammable (must be pre-heated before ignition can occur) liquid Sweet, chloroform-like odor.
安全性と法規制
| GHS 分類 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)DangerH302+H312+H332 (30.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P316, P317, P318, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: Ethane, 1,1,2-trichloro-Hazard Traits - CarcinogenicityCardiovascular ToxicityDermatotoxicityHepatotoxicity and Digestive System ToxicityImmunotoxicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityEthane, 1,1,2-trichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,2-trichloro- 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)T - indicates a substance that is the subject of a final TSCA section 4 test rule.Status: Active Update: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/1878Restricted substance: 1,1,2-Trichloroethane |
| その他の安全情報 | IMAP assessments - Ethane, 1,1,2-trichloro-: Human health tier II assessment |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Special Hazards of Combustion Products: Toxic gases including hydrogen chloride and very small amounts of phosgene and chlorine are produced.Combustible under specific conditions. Heating will cause rise in pressure with risk of bursting. |
| 火災の可能性 | Nonflammable /liquid/ |
| 健康有害性 | Inhalation causes irritation of the nose, throat, and lungs. High concentrations may cause death by respiratory failure. Highly toxic by ingestion |
用途
用途
塩化ビニリデン原料,塩素化ゴム溶剤,油脂?ワックス?天然樹脂等溶剤,アルカロイド抽出剤,金属洗浄剤 (NITE CHRIP)
用途
溶剤、抽出剤、有機合成原料、その他、燻蒸剤として用いられることもある。工業的には塩化ビニリデンの原料や洗浄剤、代替フロンの原料として使われる。
使用
The use of 1,1,2-trichloroethane is quite restrictive. It is used to a slight extent as a specialty solvent and mostly as a chemical intermediate; a solvent for fats, waxes, natural resins, alkaloids, and various other organic materials; as an intermediate in production of vinylidene chloride and teflon tubing; and as a component of adhesives. The availability of other less toxic solvents discourages its use. More than 95% of this compound manufactured in the United States is consumed in producing vinylidene chloride. Domestic production is about 410 million pounds. It must not be confused with its much less toxic isomer, 1,1,1- trichloroethane.
一般的な説明
A clear light colored liquid. Flash point between 0 and 74°F. Insoluble in water and slightly denser than water. Hence sinks in water. May be toxic by inhalation.
製法・合成法
純化方法
Purify the chloroethane as for 1,1,1-trichloroethane above. [Beilstein 1 IV 139.]