化工社化工社 化学情報印刷レポート · 研究参考用
2,2'-アゾビス(2-メチルブチロニトリル)
2,2'-アゾビス(2-メチルブチロニトリル) · 2,2'-アゾビス(2-メチルブタンニトリル) · 2,2'-アゾジ(2-メチルブチロニトリル) · ２，２’－アゾビス（２－メチルブチロニトリル） · 2.2'-アゾビス(2-メチルブチロニトリル) · アゾビスメチルブチロニトリル · ２，２’アゾビス（２メチルブチロニトリル） · 2,2′-アゾジ(2-メチルブチロニトリル)
識別子と物理属性
| CAS No. | 13472-08-7 |
|---|---|
| 分子式 | C10H16N4 |
| 平均分子量 | 192.26 g/mol |
| 単同位体質量 | 192.13749651 g/mol |
| SMILES | CCC(C)(C#N)N=NC(C)(C#N)CC |
| InChIKey | AVTLBBWTUPQRAY-UHFFFAOYSA-N |
| PubChem CID | 93079 |
| ChEMBL | CHEMBL3182601 |
| EC No. | 236-740-8 |
| DTXSID | DTXSID8027747 |
| 現地名 | 2,2'-アゾビス(2-メチルブチロニトリル) |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 極性表面積 | 72.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 4 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 284 |
| Physical Description | 2,2'-azodi-(2-methylbutyronitrile) appears as an odorless white powdered solid. May burst into flames upon exposure to fire or high heat. Dust may form an explosive mixture in air.Large CrystalsCBI |
| 融点 | 49-52 °C |
| 沸点 | 318.25°C (rough estimate) |
| 密度 | 1.1 |
| 蒸気圧 | 0.354Pa at 25℃ |
| 屈折率 | 1.4910 (estimate) |
| 貯蔵条件 | 2-8°C |
| 溶解度 | クロロホルム（少量）、メタノール（少量）392mg/L at 20℃ |
| 外観・状態 | 個体 |
| 色 | ホワイトからオフホワイト |
| ヘンリー定数 | 4.5×104 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| 安定性 | 爆発的な。ぶつけたり、接地したり、加熱したりすると、爆発する危険性があります。とても燃えやすい。強力な酸化剤とは相容れない。 |
| InChI | InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3 |
| InChIKey | AVTLBBWTUPQRAY-UHFFFAOYSA-N |
| SMILES | N(C(C)(CC)C#N)=NC(C)(CC)C#N |
| LogP（分配係数） | 2.07 at 20℃ |
| CAS データベース | 13472-08-7(CAS DataBase Reference) |
| EPAの化学物質情報 | 2,2'-Azobis[2-methylbutanenitrile] (13472-08-7) |
化学的特性
solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.6% (6 of 990) of reports.DangerH225 (17.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P235, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 990 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Butanenitrile, 2,2'-azobis[2-methyl-Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 2,2'-(1,2-diazenediyl)bis[2-methyl- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5486Butanenitrile, 2-methyl, 2,2 azorbis: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Butanenitrile, 2,2'-azobis[2-methyl-: Human health tier I assessment |
| 輸送ラベル（DOT） | Flammable Solid |
| 火災危険 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 健康有害性 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 反応性グループ | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. Self-accelerating decomposition may occur if the specific control temperature is not maintained. 2,2'-AZODI-(2-METHYLBUTYRONITRILE) is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. |
| Air and Water Reactions | Dust may form an explosive mixture in air. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (17.8%) |
| 消火 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 応急処置 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 150 [Substances (Self-Reactive / Temperature Controlled)]: |
| F | 4.4 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | EK4818750 |
| 輸送番号（UN） | UN 3236 4.1 |
| 毒性 | LD50 orl-rat: 982 mg/kg NTIS** OTS0540633 |
| 税関コード | 29270000 |
| 危険文句（R） | 11-22-2017/11/22 |
| 化審法 | (2)-3539 |
| 消防法 | 危-5-II |
| 危険表示 | F,Xn |
| 安全措置（S） | 47-36/37/39-24/25-16 |
| 危険等級 | 4.1 |
| 包装等級 | II |
| 毒劇物取締法 | 劇物 |
用途
用途
重合開始剤。