化工社化工社 化学情報印刷レポート · 研究参考用
4-tert-ブチルベンゾヒドラジド
4-tert-ブチルベンゾヒドラジド · 4-(1,1-ジメチルエチル)ベンズヒドラジド · 4-tert-ブチルベンズヒドラジド · p-(tert-ブチル)ベンズヒドラジド · 4tブチルベンズヒドラジド · ４ｔｅｒｔブチルベンゾヒドラジド · 4-tert-ブチルベンズヒドラジド, 98% · 4-tert-ブチル安息香酸ヒドラジド
識別子と物理属性
| CAS No. | 43100-38-5 |
|---|---|
| 分子式 | C11H16N2O |
| 平均分子量 | 192.26 g/mol |
| 単同位体質量 | 192.12626313 g/mol |
| SMILES | CC(C)(C)c1ccc(C(=O)NN)cc1 |
| InChIKey | XYUFQWDLRLHUPB-UHFFFAOYSA-N |
| PubChem CID | 123513 |
| EC No. | 256-090-9 |
| DTXSID | DTXSID7074747 |
| 現地名 | 4-tert-ブチルベンゾヒドラジド |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 55.1 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 2 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 200 |
| Physical Description | Dry Powder |
| 融点 | 120-127 °C(lit.) |
| 密度 | 1.046±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 溶解度 | soluble in Methanol |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 12.82±0.10(Predicted) |
| 色 | White to Almost white |
| BRN | 1104663 |
| InChI | InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14) |
| InChIKey | XYUFQWDLRLHUPB-UHFFFAOYSA-N |
| SMILES | C(NN)(=O)C1=CC=C(C(C)(C)C)C=C1 |
| CAS データベース | 43100-38-5(CAS DataBase Reference) |
| NISTの化学物質情報 | 4-Tert-butylbenzoic acid hydrazide(43100-38-5) |
| EPAの化学物質情報 | Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide (43100-38-5) |
化学的特性
white to light beige crystalline powder or
安全性と法規制
| GHS 分類 | WarningH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide 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. |
| Hazard Classes and Categories | Acute Tox. 4 (88.6%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29280000 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 化審法 | (3)-4326 |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 24/25-36/37-26-37 |
| 危険等級 | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
4-tert-Butylbenzoic hydrazide was used in the synthesis of 2-(2-methylphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole.