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9-アントラセンカルボン酸
9-アントラセンカルボン酸 · アントラセン-9-カルボン酸 · 9-アントロン酸 · アントラセン９カルボン酸 · 9-カルボキシアントラセン · 9‐アントラセンカルボン酸 · アントラセン‐9‐カルボン酸 · 9-アントラセンカルボン酸 (昇華精製品)
識別子と物理属性
| CAS No. | 723-62-6 |
|---|---|
| 分子式 | C15H10O2 |
| 平均分子量 | 222.24 g/mol |
| 単同位体質量 | 222.06807956 g/mol |
| SMILES | O=C(O)c1c2ccccc2cc2ccccc12 |
| InChIKey | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
| PubChem CID | 2201 |
| ChEMBL | CHEMBL1513985 |
| ChEBI | CHEBI:34507 |
| EC No. | 211-964-9 |
| DTXSID | DTXSID7049427 |
| 現地名 | 9-アントラセンカルボン酸 |
化学・物理的性質
| XLogP | 3.8 |
|---|---|
| 極性表面積 | 37.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 277 |
| 蒸気圧 | 0.00000022 [mmHg] |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| 融点 | 213-217 °C (lit.) |
| 沸点 | 323.41°C (rough estimate) |
| 密度 | 1.1404 (rough estimate) |
| 屈折率 | 1.6600 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | H2O: 可溶不溶性 |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | pK1: 3.65 (25°C) |
| 色 | 黄色 |
| BRN | 1875336 |
| InChI | 1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17) |
| InChIKey | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1c2ccccc2cc3ccccc13 |
| CAS データベース | 723-62-6(CAS DataBase Reference) |
| NISTの化学物質情報 | 9-Anthroic acid(723-62-6) |
| EPAの化学物質情報 | 9-Anthracenecarboxylic acid (723-62-6) |
化学的特性
yellow powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.DangerH301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, 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 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 10 reports by companies.There are 4 notifications provided by 7 of 10 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: 9-Anthracenecarboxylic acidStatus: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/299539-Anthracenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Causes muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 750 mg/kg)[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 3 (10%)Skin Irrit. 2 (60%)Eye Irrit. 2 (60%)STOT SE 3 (50%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | CB8764000 |
| 毒性 | pic-esc 127 mg/well MUREAV 260,349,91 |
| 税関コード | 29163900 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 化審法 | (4)-1876 |
| 危険表示 | Xi,C,Xn |
| hazard_note | Corrosive |
| 安全措置（S） | 37/39-26-36-24/25 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
使用
Anthracene-9-carboxylic acid is a Cl- transport inhibitor with a moderate to strong inhibitory action on PKA activated cardiac IcI.
製法・合成法
純化方法
Crystallise the acid from EtOH. It is fluorescent in EtOH. [Beilstein 9 IV 2671.]