化工社化工社 化学情報印刷レポート · 研究参考用
2,5-ジクロロ-1,4-フェニレンジアミン
2,5-ジクロロ-1,4-フェニレンジアミン · 2,5-ジクロロ-p-フェニレンジアミン · 2,5-ジクロロ-1,4-ベンゼンジアミン · 2,5-ジクロロベンゼン-1,4-ジアミン · 1,4-ジアミノ-2,5-ジクロロベンゼン · 2,5-ジクロロ-1，4フェニレンジアミン · 2,5-ジクロロ-4-フェニレンジアミン · ２，５ジクロロ１，４ベンゼンジアミン
識別子と物理属性
| CAS No. | 20103-09-7 |
|---|---|
| 分子式 | C6H6Cl2N2 |
| 平均分子量 | 177.03 g/mol |
| 単同位体質量 | 175.9908036 g/mol |
| SMILES | Nc1cc(Cl)c(N)cc1Cl |
| InChIKey | QAYVHDDEMLNVMO-UHFFFAOYSA-N |
| PubChem CID | 29949 |
| ChEMBL | CHEMBL1450518 |
| EC No. | 243-512-1 |
| DTXSID | DTXSID8066557 |
| 現地名 | 2,5-ジクロロ-1,4-フェニレンジアミン |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 極性表面積 | 52 |
| 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 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 106 |
| 物質分類 | Nitrogen Compounds -> Amines, Aromatic |
| Color/Form | WHITE PRISMS |
| 溶解度 | SLIGHTLY SOLUBLE IN WATER AND ALCOHOL |
| 融点 | 170 °C164-166 °C (dec.)(lit.) |
| Physical Description | White solid[HSDB] Powder[MSDSonline] |
| 沸点 | 291.88°C (rough estimate) |
| 密度 | 1.4668 (rough estimate) |
| 屈折率 | 1.6400 (estimate) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 3.16±0.10(Predicted) |
| 外観・状態 | powder to crystal |
| 色 | White to Brown |
| BRN | 2803055 |
| InChI | InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2 |
| InChIKey | QAYVHDDEMLNVMO-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(Cl)=C(N)C=C1Cl |
| CAS データベース | 20103-09-7(CAS DataBase Reference) |
| EPAの化学物質情報 | 1,4-Benzenediamine, 2,5-dichloro- (20103-09-7) |
化学的特性
light brown to pinkish-grey powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.WarningH302 (95.8%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | REACH registered substance: 2,5-dichlorobenzene-1,4-diamine (EC: 243-512-1) |
| 有害性の概要 | Emergency treatment: Methemoglobinemia[HSDB] An irritant[MSDSonline] |
| Special Reports | EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPAPHENYLENEDIAMINESRESPONSE TO INTERAGENCY TESTING COMMITTEEFED REGIST 47(5) 973 (1982)] |
| Hazard Classes and Categories | Acute Tox. 4 (95.8%) |
| 有害作用 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Human Toxicity Excerpts | POTENTIAL METHEMOGLOBIN FORMER |
| F | 9 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | SS9150000 |
| 税関コード | 29215900 |
| 危険文句（R） | 22-36/37/38 |
| 化審法 | (3)-295 |
用途
用途
有機合成原料。