9-アントラセンカルボキシアルデヒド
9-アントラセンカルボキシアルデヒド · 9-アントラアルデヒド · アントラセン-9-カルバルデヒド · 9-ホルミルアントラセン · アントラセン-9-カルボアルデヒド · 9-アントラセンカルボアルデヒド · 9-アントラセンカルバルデヒド · 9‐アントラセンカルバルデヒド
識別子と物理属性
| CAS No. | 642-31-9 |
|---|---|
| 分子式 | C15H10O |
| 平均分子量 | 206.24 g/mol |
| 単同位体質量 | 206.07316494 g/mol |
| SMILES | O=Cc1c2ccccc2cc2ccccc12 |
| InChIKey | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| PubChem CID | 69504 |
| ChEMBL | CHEMBL4447118 |
| EC No. | 211-383-0 |
| DTXSID | DTXSID9060940 |
| 現地名 | 9-アントラセンカルボキシアルデヒド |
化学・物理的性質
| XLogP | 4 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 238 |
| Physical Description | Gold colored powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 2094368.3357.3356.6 |
| 融点 | 103-105 °C (lit.) |
| 沸点 | 305.09°C (rough estimate) |
| 密度 | 1.0701 (rough estimate) |
| 屈折率 | 1.6324 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | トルエンに可溶。 |
| 外観・状態 | 結晶性粉末または針 |
| 色 | 黄色 |
| BRN | 639167 |
| 安定性 | 安定。強塩基、強酸化剤とは相容れない。 |
| InChI | 1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H |
| InChIKey | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1c2ccccc2cc3ccccc13 |
| CAS データベース | 642-31-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 9-Anthracenecarboxaldehyde(642-31-9) |
| EPAの化学物質情報 | 9-Anthracenecarboxaldehyde (642-31-9) |
化学的特性
yellow powder
安全性と法規制
| GHS 分類 | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 7 reports by companies from 3 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 | Chemical: 9-AnthracenecarboxaldehydeStatus: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/188579-Anthracenecarboxaldehyde: 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[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 4 (28.6%)Skin Irrit. 2 (71.4%)Eye Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29122900 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 危険表示 | Xn |
| 安全措置（S） | 24/25-36 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
使用
9-Anthraldehyde is used to prepare asymmetrical tridentate Schiff base ligands, 2-(9-anthrylmethyl-ideneamino)-4-methyl-phenol and functionalized ligand like 2-(anthracen-9-ylidene)-4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione through Knoevenangel condensation with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione. It is also used as an intermediate for dyes, pigment, active pharmaceutical ingredients and other organic compounds. Further, it is involved in the Diels Alder reaction with benzenediazonium-2-carboxylate.
一般的な説明
The Diels-Alder reaction of 9-anthracenecarboxaldehyde with benzenediazonium-2-carboxylate was studied.
製法・合成法
純化方法
9-Anthraldehyde [642-31-9] M 206.2, m 104-105o. Crystallise the aldehyde from acetic acid or EtOH. [Masnori et al. J Am Chem Soc 108 1126 1986, Beilstein 7 IV 1738.]