トリクロロニトロメタン
ソイリーン · ラーバサイド100 · クロロピクリン · トリクロロニトロメタン · ニトロトリクロロメタン · アキナイト · ピクヒューム · ネマックス

識別子と物理属性
| CAS No. | 76-06-2 |
|---|---|
| 分子式 | CCl3NO2 |
| 平均分子量 | 164.37 g/mol |
| 単同位体質量 | 162.89946128 g/mol |
| SMILES | O=[N+]([O-])C(Cl)(Cl)Cl |
| InChIKey | LFHISGNCFUNFFM-UHFFFAOYSA-N |
| PubChem CID | 6423 |
| ChEMBL | CHEMBL1327143 |
| ChEBI | CHEBI:39285 |
| EC No. | 200-930-9 |
| DTXSID | DTXSID0020315 |
| 現地名 | トリクロロニトロメタン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 45.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 79.9 |
| 物質分類 | Reactive agents - 3rd degree-> NIOSH Emergency Response CategoriesVolatile Organic Compound (VOC) |
| SpringerMaterials Properties | Schoenflies notation |
| 農薬 | NematicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Fumigants |
| LogP(分配係数) | log Kow = 2.092.11.03 |
| 臭い | Intensely irritating tear gas odorIntensely irritating odor.Pepper-like |
| 密度 | 1.64 at 77 °F (USCG, 1999) - Denser than waterwill sink1.6448 at 20 °C/4 °C1.6483 at 25 °C/4 °CRelative density (water = 1): 1.71.661.6558 @ 20°C1.657 |
| Color/Form | Slightly oily liquidFaint yellow liquid.Colorless liquidColorless to faint-yellow, oily liquid. |
| 溶解度 | 1 to 5 mg/mL at 72 °F (NTP, 1992)Miscible with most organic solvents, e.g. acetone, benzene, ethanol, methanol, carbon disulfide, diethyl ether, carbon tetrachlorideMiscible with absolute alcoholsoluble in etherMiscible with acetic acid0.19 g/100 ml H2O at 20 °CFor more Solubility (Complete) data for CHLOROPICRIN (6 total), please visit the HSDB record page.アセトン、ベンゼン、二硫化炭素、四塩化炭素、エーテル、メタノールと混和する (Worthing and Hance, 1991)0°C で 2,270 mg/L (Gunther et al., 1968)25°C で 1.621 g/L (Windholz et al., 1983 で引用) |
| Corrosivity | RELATIVELY INERT CHEMICALLY & NON-CORROSIVE TO COPPER, BRASS & BRONZE BUT ATTACKS IRON, ZINC & OTHER LIGHT METALS |
| 沸点 | 234 °F at 760 mmHg (NTP, 1992)112 °C at 757 mm Hg112 °C @760 [mm Hg] |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.May decompose explosively at elevated temperatures. |
| 融点 | -92.6 °F (NTP, 1992)-64 °C (-69.2 °C corr)-93 °F-64°mp -69.2° (corr) |
| 蒸気圧 | 18.3 at 20 °C (Meister, 1988) |
| 屈折率 | 1.461 |
| 貯蔵条件 | 0-6°C |
| 外観・状態 | 油性液体 |
| Merck | 13,2175 |
| BRN | 1756135 |
| ヘンリー定数 | 2.44 (static headspace-GC, Welke et al., 1998) |
| 誘電率 | 7.3200000000000003 |
| 安定性 | 安定。加熱すると激しく分解することがある。衝撃に敏感。ナトリウムメトキシド、臭化プロピン、アニリンと激しく反応する。 3-ブロモプロピン、強力な酸化剤、プラスチック、ゴム、鉄、亜鉛、その他の軽金属とは相溶しません。 |
| LogP(分配係数) | 2.090 |
| CAS データベース | 76-06-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Chloropicrin(76-06-2) |
| EPAの化学物質情報 | Chloropicrin (76-06-2) |
化学的特性
oily colourless liquid
安全性と法規制
| GHS 分類 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| 規制情報 | Hazard Traits - Ocular ToxicityRespiratory ToxicityRegulation (EC) No 1107/2009 (amended)2008/934, Reg. (EU) 2022/751, Reg. (EU) No 1381/2011REACH registered substance: Trichloronitromethane (EC: 200-930-9)Chloropicrin: HSNO Approval: HSR002939 Approved with controlsThe 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 - Methane, trichloronitro-: Environment tier I assessment- Indoor Air: Chloropicrin (PS) can be released into indoor air as a liquid spray (aerosol). |
| 輸送ラベル(DOT) | Poison Inhalation Hazard |
| 火災危険 | Behavior in Fire: Compound forms a powerful tear gas when heated. Heated material may detonate under fire conditions. (USCG, 1999)· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.Not combustible. Many reactions may cause fire or explosion. |
| 健康有害性 | Inhalation causes nausea, eye watering, vomiting, bronchitis, and pulmonary edema. Vapor is a powerful tear gas. Liquid irritates and burns skin and causes severe burns of eyes. Ingestion causes severe irritation of mouth and stomach. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 有害性の概要 | Liquid causes second or third degree burns after short contact[CHRIS] Volunteers cannot tolerate concentrations of 15 ppm for longer than one minute. Chloropicrin can cause lacrimation, vomiting, and then death from pulmonary edema. Animals in chronic inhalation studies suffer from necrosis of liver, kidney, and muscle tissues. [ACGIH] A lachrymator |
用途
解説
クロロピクリン.一般には,ニトロメタンにさらし粉を作用させると得られるが,クロラールのような有機ハロゲン化合物に硝酸を反応させても得られる.また,水とアルカリの存在下でピクリン酸に塩素を作用させる方法もある.無色の油状液体.沸点112 ℃.エタノール,二硫化炭素,エーテルに可溶.水,鉱酸に安定である.不純物は特異な臭気がある.殺虫殺菌剤などに用いることができる.皮膚,粘膜,呼吸器官などをおかし,呼吸困難から致命症になることもある.LD50 250 mg/kg(ラット,経口).
用途
農薬(殺虫殺菌剤)
説明
Chloropicrin is a colorless to faint-yellow oily liquid with an intensely irritating and sharp odor with characteristics of tear gas. Some common trade names of products containing chloropicrin include Dolochlor, Aquinite, Nemax, Pic-Chlor, Timberfume, Profume A, Tri-Clor, and Microlysin. It has a molecular weight of 164.38, water solubility of 2000 mg l1 at 25°C, and melting and boiling points of 64 and 112°C, respectively. Chloropicrin is nonflammable and has a vapor density of 5.7 compared to the vapor density of one assigned to air. Heating above 234 F results in explosive decomposition of chloropicrin, leading to the release of toxic gases, including nitrogen oxides, phosgene, nitrosyl chloride, chlorine, and carbon monoxide. Chloropicrin is a widely used fungicide that is primarily used for preplant soil fumigation. Chloropicrin is used to fumigate stored grain and to treat soil against fungi, insects, and nematodes either as a stand-alone treatment or in combination with other fumigants like methyl bromide and sulfuryl fluoride for enhanced potency. Chloropicrin is also used to prevent internal decay of wood poles and timber caused by fungi and insects.
使用
Chloropicrin (PS), nitrotrichloromethane, trichloronitromethane, nitrochloroform, is a slightly oily, colorless, pale to transparent liquid that is nearly stable. It is nonflammable, with a boiling point of approximately 235°F (112°C) and slight water solubility. The vapor density is 5.7, which is heavier than air.
一般的な説明
Chloropicrin mixture is a variable colored liquid usually colorless to yellow. Chloropicrin is noncombustible and the flammability of the mixture will depend on the other component of the mixture. Chloropicrin vapors are heavier than air and Trichloronitromethane is toxic by inhalation.
製法・合成法
純化方法
Dry with MgSO4 and fractionally distil. [Beilstein 1 IV 106.] EXTREMELY NEUROTOXIC, u s e appropriate precautions.