化工社化工社 化学情報印刷レポート · 研究参考用
3,4-ジクロロ-1,2,5-チアジアゾール
3,4-ジクロロ-1,2,5-チアジアゾール · DCTD · AI3-61900 · BB_SC-3458 · ZINC04529131 · 258903_ALDRICH · EINECS 227-232-7 · 4ETHYL4AMINOBIPHENYL
識別子と物理属性
| CAS No. | 5728-20-1 |
|---|---|
| 分子式 | C2Cl2N2S |
| 平均分子量 | 155.01 g/mol |
| 単同位体質量 | 153.9159246 g/mol |
| SMILES | Clc1nsnc1Cl |
| InChIKey | YNZQOVYRCBAMEU-UHFFFAOYSA-N |
| PubChem CID | 79804 |
| EC No. | 227-232-7 |
| DTXSID | DTXSID00205896 |
| 現地名 | 3,4-ジクロロ-1,2,5-チアジアゾール |
化学・物理的性質
| XLogP | 2.3 |
|---|---|
| 極性表面積 | 54 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 62 |
| 融点 | 82-83 °C |
| 沸点 | 158 °C (lit.) |
| 密度 | 1.648 g/mL at 25 °C (lit.) |
| 屈折率 | 1.561 |
| 引火点 | >100°C |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | クロロホルム、メタノールに可溶。 |
| pKa（酸解離定数） | -3.82±0.10(Predicted) |
| 外観・状態 | 油 |
| 色 | 無色 |
| BRN | 606585 |
| InChI | InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1 |
| InChIKey | YNZQOVYRCBAMEU-UHFFFAOYSA-N |
| SMILES | S1N=C(Cl)C(Cl)=N1 |
| CAS データベース | 5728-20-1(CAS DataBase Reference) |
化学的特性
Colorless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 10% (6 of 60) of reports.DangerH301 (15%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (81.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (11.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 60 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 6 of 60 reports by companies.There are 10 notifications provided by 54 of 60 reports by companies with hazard statement code(s).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: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18863 |
| Hazard Classes and Categories | Acute Tox. 3 (15%)Skin Irrit. 2 (83.3%)Eye Irrit. 2 (83.3%)STOT SE 3 (81.7%)Aquatic Chronic 3 (11.7%) |
| 水環境危害等級（WGK） | 2 |
| 輸送番号（UN） | UN2810 |
| 税関コード | 29349990 |
| 危険文句（R） | 36/37/38 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
| 危険等級 | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |