化工社化工社 化学情報印刷レポート · 研究参考用
1-アミノ-2-メチルアントラキノン
1-アミノ-2-メチルアントラキノン · 1-アミノ-2-メチル-9,10-アントラセンジオン · アルチシルオレンジ3RP · アセタートファーストオレンジR · 1-アミノ-2-メチル-9,10-アントラキノン · C.I.ジスパースオレンジ11 · ミクロセチルオレンジRA · アセタートファストオレンジR
識別子と物理属性
| CAS No. | 82-28-0 |
|---|---|
| 分子式 | C15H11NO2 |
| 平均分子量 | 237.25 g/mol |
| 単同位体質量 | 237.07897859 g/mol |
| SMILES | Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O |
| InChIKey | ZLCUIOWQYBYEBG-UHFFFAOYSA-N |
| PubChem CID | 6702 |
| ChEMBL | CHEMBL1413787 |
| ChEBI | CHEBI:82382 |
| EC No. | 201-408-3 |
| DTXSID | DTXSID7020057 |
| 現地名 | 1-アミノ-2-メチルアントラキノン |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 極性表面積 | 60.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 379 |
| 物質分類 | Dyes -> Anthraquinone DyesCarcinogens |
| SpringerMaterials Properties | Boiling point |
| Color/Form | Orange to dark red powder |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)Soluble in ethanol, benzene, chloroform,slightly soluble in diethyl etherIn water, 0.332 mg/L at 25 °C332.2ug/L(25℃) |
| Decomposition | When heated to decomposition it emits toxic fumes of /Nitrogen oxides/. |
| 融点 | 401 °F (NTP, 1992)205.5 °CUV: 1371 (Absorption Spectra in the UV and Visible Regions, Academic Press, New York)MP: 181 °C /1-Amino-4-methylanthraquinone/204-206 °C(lit.) |
| 臭気閾値 | 0.018 ppm (air) |
| 蒸気圧 | 0.00000004 [mmHg] |
| Physical Description | 1-amino-2-methylanthraquinone is a red powder. (NTP, 1992)Orange to dark red solid[HSDB] Red solid[CAMEO] |
| Collision Cross Section | 153.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7020057] |
| 沸点 | 379.79°C (rough estimate) |
| 密度 | 1.1469 (rough estimate) |
| 屈折率 | 1.5500 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| pKa（酸解離定数） | -0.53±0.20(Predicted) |
| 色 | Orange to Amber to Dark red |
| ヘンリー定数 | 8.2×106 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定。強力な酸化剤、鉱酸とは相容れない。 |
| 主な用途 | 洗浄剤化粧品環境食品および飲料パーソナルケア |
| InChI | 1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3 |
| InChIKey | ZLCUIOWQYBYEBG-UHFFFAOYSA-N |
| SMILES | Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N |
| CAS データベース | 82-28-0(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Amino-2-methylanthraquinone (82-28-0) |
化学的特性
1-Amino-2-methylanthraquinone is a red crystalline substance or powder.
安全性と法規制
| GHS 分類 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H351: Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| 規制情報 | Chemical: 9,10-Anthracenedione, 1-amino-2-methyl-Hazard Traits - CarcinogenicityThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Anthraquinone-based dyes with limited data availability: Human health tier II assessment |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include drowsiness, skin and eye irritation, nausea, vomiting, weakness, somnolence, methemoglobinemia, liver damage and unconsciousness. |
| 有害性の概要 | Evidence for carcinogenicity in laboratory animals include carcinomas in the liver and kidneyShown to be mutagenicEmergency treatment: AnthraquinonesAnthraquinones have cathartic action after ingestion, and in severe cases, may cause kidney damage, liver enzyme elevation, GI hemorrhage, seizures, and coma[HSDB] May cause skin and eye irritation, methemoglobinemia, and liver injury[CAMEO] An irritantHarmful if ingested, inhaled, or absorbed through the skinTarget organs or liver and kidneys[Aldrich MSDS] |
| 反応性グループ | Hydrocarbons, Aromatic |
| Special Reports | DHHS/NTPBioassay of 1-Amino-2-methylanthraquinone for Possible CarcinogenicityTechnical Report Series No. 111 (1978) NIH Publication No. 78-1366 |
用途
使用
1-Amino-2-methylanthraquinone was used almost exclusively as a dyeand as an intermediate in the production of dyes. It was used as a dyefor synthetic fibers, furs, and thermoplastic resins. The only dyes derived from 1-amino-2-methylanthraquinone that were produced in the United States were C.I. acid blue 47, last produced in 1973, and C.I. solvent blue 13, last produced in 1974 (IARC 1982, HSDB 2009).
一般的な説明
Red powder.
製法・合成法
製造方法
2-Methylanthracene-9,10-dione nitrification, then use the method reduction