化工社化工社 化学情報印刷レポート · 研究参考用
1,4-ナフタレンジカルボン酸
1,4-ナフタレンジカルボン酸 · 1,4-ナフタル酸 · ナフタレン-1,4-ジカルボン酸 · NAPHTHALENE-1,4-DICARBOXYLIC ACID · 1,4-NAPHTHALIC ACID · DK7269 · DK7460 · 1,4-NaphthaL
識別子と物理属性
| CAS No. | 605-70-9 |
|---|---|
| 分子式 | C12H8O4 |
| 平均分子量 | 216.19 g/mol |
| 単同位体質量 | 216.04225874 g/mol |
| SMILES | O=C(O)c1ccc(C(=O)O)c2ccccc12 |
| InChIKey | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
| PubChem CID | 69065 |
| EC No. | 210-094-7 |
| DTXSID | DTXSID2060545 |
| 現地名 | 1,4-ナフタレンジカルボン酸 |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 74.6 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 269 |
| 融点 | >300 °C (lit.) |
| 沸点 | 490.2±28.0 °C(Predicted) |
| 密度 | 1.54 g/cm3 |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 2.71±0.10(Predicted) |
| 色 | White to Yellow to Orange |
| 溶解度 | 水に不溶。 |
| BRN | 2051255 |
| InChI | InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1 |
| CAS データベース | 605-70-9(CAS DataBase Reference) |
| EPAの化学物質情報 | 1,4-Naphthalenedicarboxylic acid (605-70-9) |
化学的特性
White solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.WarningH315 (93.9%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Active Update: 28-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/239501,4-Naphthalenedicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (93.9%) |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29173990 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (4)-1765 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
1,4-Naphthalenedicarboxylic acid is an important raw material for the production of polyester and other high-performance polymers. These polymers have excellent mechanical properties and thermal stability and are widely used in clothing materials, high-strength container materials and other fields.
使用
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.