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アセトヒドラジド
アセトヒドラジド · 1-ヒドラゾノエタノール · アセチルヒドラジド · 酢酸ヒドラジド · アセチルヒドラジン · 1-アセチルヒドラジン · エタンヒドラゾン酸 · アセチドラジド
識別子と物理属性
| CAS No. | 1068-57-1 |
|---|---|
| 分子式 | C2H6N2O |
| 平均分子量 | 74.08 g/mol |
| 単同位体質量 | 74.04801282 g/mol |
| SMILES | CC(=O)NN |
| InChIKey | OFLXLNCGODUUOT-UHFFFAOYSA-N |
| PubChem CID | 14039 |
| ChEMBL | CHEMBL3091859 |
| ChEBI | CHEBI:2422 |
| EC No. | 213-948-7 |
| DTXSID | DTXSID9020900 |
| 現地名 | アセトヒドラジド |
化学・物理的性質
| XLogP | -1.6 |
|---|---|
| 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 | 0 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 42 |
| 融点 | 58-68 °C (lit.) |
| 沸点 | 129 °C/18 mmHg (lit.) |
| 密度 | 1.0968 (rough estimate) |
| 屈折率 | 1.4264 (estimate) |
| 引火点 | >230 °F |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,2-8°C |
| 溶解度 | DMSO (Slightly), Methanol (Slightly)溶ける |
| 外観・状態 | 湿った結晶とチャンク |
| pKa（酸解離定数） | 13.46±0.18(Predicted) |
| 色 | 白い |
| BRN | 506165 |
| InChI | 1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5) |
| InChIKey | OFLXLNCGODUUOT-UHFFFAOYSA-N |
| SMILES | CC(=O)NN |
| CAS データベース | 1068-57-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Acetic acid, hydrazide(1068-57-1) |
| EPAの化学物質情報 | Acetic acid hydrazide (1068-57-1) |
化学的特性
White moist crystals and chunks
安全性と法規制
| GHS 分類 | DangerH301 (54.7%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (41.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (67.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (67.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (32.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]H341 (54.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]H351 (55.8%): Suspected of causing cancer [Warning Carcinogenicity]H400 (32.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (32.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (32.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 86 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Status: Active Update: 05-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23789Acetohydrazide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (54.7%)Acute Tox. 4 (41.9%)Skin Irrit. 2 (67.4%)Eye Irrit. 2 (67.4%)Acute Tox. 3 (32.6%)Muta. 2 (54.7%)Carc. 2 (55.8%)Aquatic Acute 1 (32.6%)Aquatic Chronic 2 (32.6%) |
| F | 3-8-10 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | AI1225000 |
| 輸送番号（UN） | 1759 |
| 毒性 | LD50 oral in bird - wild: 42200ug/kg |
| 税関コード | 29280090 |
| 危険文句（R） | 22-36/38-68-40-25 |
| 危険表示 | Xn,T |
| 安全措置（S） | 26-36-45-36/37 |
| 危険等級 | 6.1Acute Tox. 3 OralCarc. 2Eye Irrit. 2Muta. 2Skin Irrit. 2 |
| 包装等級 | II |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
製法・合成法
純化方法
Acetic hydrazide crystallises as needles from EtOH. It reduces NH3/AgNO3. [Beilstein 2 H 191, 2 IV 435.]