3,4,9,10-ペリレンテトラカルボン酸二無水物
3,4,9,10-ペリレンテトラカルボン酸二無水物 · ペリロ[3,4-cd:9,10-c'd']ジピラン-1,3,8,10-テトラオン · ペリレン-3,4,9,10-テトラカルボン酸3,4:9,10-ビス無水物 · ペリレン-3,4,9,10-テトラカルボン酸二無水物 · ペリレン-3,4,9,10-テトラカルボン酸3,4:9,10-二無水物 · ペリレン-3,4,9,10-テトラカルボン酸-3,4:9,10-二無水物 · ピグメントレッド224 · 3,4,9,10-ペリレンテトラカルボン酸3,4:9,10-ジ無水物
識別子と物理属性
| CAS No. | 128-69-8 |
|---|---|
| 分子式 | C24H8O6 |
| 平均分子量 | 392.3 g/mol |
| 単同位体質量 | 392.03208797 g/mol |
| SMILES | O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O |
| InChIKey | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| PubChem CID | 67191 |
| EC No. | 204-905-3 |
| DTXSID | DTXSID1059577 |
| 現地名 | 3,4,9,10-ペリレンテトラカルボン酸二無水物 |
化学・物理的性質
| XLogP | 4.5 |
|---|---|
| 極性表面積 | 86.7 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 0 |
| 重原子数 | 30 |
| 形式電荷 | 0 |
| 複雑度 | 730 |
| Physical Description | CBIDark red powder[Sigma-Aldrich MSDS] |
| 融点 | >300 °C(lit.) |
| 沸点 | 477.07°C (rough estimate) |
| 密度 | 1.3306 (rough estimate) |
| 屈折率 | 1.5200 (estimate) |
| 引火点 | >400°C |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 0.87g/リットル不溶性 |
| 外観・状態 | 粉 |
| 色 | 暗赤色 |
| pH | 6-7 (1g/l, H2O, 20℃) |
| BRN | 57831 |
| InChI | 1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H |
| InChIKey | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| SMILES | O1C(=O)c2c3c4c(c5c6c(c4cc2)ccc7c6c(cc5)C(=O)OC7=O)ccc3C1=O |
| CAS データベース | 128-69-8(CAS DataBase Reference) |
| NISTの化学物質情報 | 3,4,9,10-Perylenetetracarboxylic dianhydride(128-69-8) |
| EPAの化学物質情報 | Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone (128-69-8) |
化学的特性
dark red powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 74.1% (160 of 216) of all reports.WarningH315 (24.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (23.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 216 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 160 of 216 reports by companies.There are 6 notifications provided by 56 of 216 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 | Chemical: Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetronePerylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone 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)Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11837Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | A skin and strong eye irritant[Sigma-Aldrich MSDS] See ACID ANHYDRIDES. See Perylene. |
| Hazard Classes and Categories | Skin Irrit. 2 (24.1%) |
用途
使用
3,4,9,10-Perylenetetracarboxylic dianhydride is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is mainly used in air dried and baking enamels, epoxy, polyurethane and polyester based paints. It is also used in printing inks for bank and security documents.
一般的な説明
Perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) is a perylene derivative which forms highly crystalline films and dyes that can be used for a majority of electronic and opto-electronic applications. It provides a high electron mobility due to its low intermolecular distance which results in π-π conjugation.