化工社化工社 化学情報印刷レポート · 研究参考用
2,7-ジヒドロキシナフタレン
2,7-ジヒドロキシナフタレン · ナフタレン-2,7-ジオール · 2,7-ナフタレンジオール · 2,7‐ジヒドロキシナフタレン · 2,7‐ナフタレンジオール · Naphthalene-2,7-Diol · 2,7-NAPHTHALENEDIOL · 2,7-DON
識別子と物理属性
| CAS No. | 582-17-2 |
|---|---|
| 分子式 | C10H8O2 |
| 平均分子量 | 160.17 g/mol |
| 単同位体質量 | 160.0524295 g/mol |
| SMILES | Oc1ccc2ccc(O)cc2c1 |
| InChIKey | DFQICHCWIIJABH-UHFFFAOYSA-N |
| PubChem CID | 11397 |
| ChEMBL | CHEMBL205165 |
| EC No. | 209-478-7 |
| DTXSID | DTXSID2060387 |
| 現地名 | 2,7-ジヒドロキシナフタレン |
化学・物理的性質
| XLogP | 2.3 |
|---|---|
| 極性表面積 | 40.5 |
| 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 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 142 |
| 物質分類 | Other Classes -> Naphthols |
| 化粧品 | Hair dyeing |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Light grey or slightly yellow solid[EC: Opinion of the SCCP on 2,7-naphthalenediol] Grey powder[Alfa Aesar MSDS] |
| 融点 | 185-190 °C (lit.) |
| 沸点 | 246.06°C (rough estimate) |
| 密度 | 1.0924 (rough estimate) |
| 屈折率 | 1.5418 (estimate) |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | DMSO（微量）、メタノール（微量）不溶性 |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 9.14±0.40(Predicted) |
| 色 | グレー |
| BRN | 2042383 |
| 化粧品成分の機能 | ヘアカラーリング |
| InChI | 1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H |
| InChIKey | DFQICHCWIIJABH-UHFFFAOYSA-N |
| SMILES | Oc1ccc2ccc(O)cc2c1 |
| LogP（分配係数） | 1.980 (est) |
| CAS データベース | 582-17-2(CAS DataBase Reference) |
| NISTの化学物質情報 | 2,7-Naphthalenediol(582-17-2) |
| EPAの化学物質情報 | 2,7-Naphthalenediol (582-17-2) |
化学的特性
Light yellow to grey needle crystal
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.2% (1 of 81) of reports.DangerH302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 2,7-Naphthalenediol2,7-Naphthalene diol: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - 2,7-Naphthalenediol: Human health tier II assessment |
| 有害性の概要 | Not irritating to rabbit skinHighly irritating and corrosive to rabbit eyesA moderate skin sensitizer using the mouse local lymph node assay (LLNA)Changes in hematology (reduced hemoglobin in males and higher MCV and MCH values in females), clinical chemistry (increased GGT in males and ALT in females), and histopathological changes in liver and kidney observed in 90-day oral study of ratsHematological changes and histopathology of liver and kidney reversed within four week recovery periodNo evidence of teratogenicity in ratsNot likely to have mutagenic potential in vivo[EC: SCCP] A skin and strong eye irritant[Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol. |
| Hazard Classes and Categories | Acute Tox. 4 (14.8%)Eye damage - category 1 |
| 有害作用 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | QJ4780000 |
用途
用途
有機合成原料。
使用
2,7-Dihydroxynaphthalene can be used as starting material for the synthesis of sulfonic acids and divinylnaphthalenes.