テトラプロポキシジルコニウム(IV)
テトラキス(プロピルオキシ)ジルコニウム(IV) · ジルコニウム(IV)テトラ(1-プロパノラート) · ジルコニウム(IV)テトラプロポキシド · テトラプロポキシジルコニウム(IV) · テトラキス(プロポキシ)ジルコニウム(IV) · ジルコニウム() n-プロポキシド · ジルコニウム(IV)プロポキシド (約70%1-プロパノール溶液) · ジルコニウム(IV) テトラプロポキシド (約70%1-プロパノール溶液)
識別子と物理属性
| CAS No. | 23519-77-9 |
|---|---|
| 分子式 | C12H28O4Zr |
| 平均分子量 | 327.57 g/mol |
| 単同位体質量 | 326.10346378 g/mol |
| SMILES | CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4] |
| InChIKey | XPGAWFIWCWKDDL-UHFFFAOYSA-N |
| PubChem CID | 90139 |
| EC No. | 245-711-9 |
| DTXSID | DTXSID6046975 |
| 現地名 | テトラプロポキシジルコニウム(IV) |
化学・物理的性質
| 極性表面積 | 92.2 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 4 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 7.2 |
| Physical Description | Tetra-n-propyl zirconate appears as a yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes.CBI |
| 融点 | -55.00°C |
| 沸点 | 208 °C0.1 mm Hg |
| 密度 | 1.058 g/mL at 20 °C |
| 蒸気圧 | 19.4hPa at 20℃ |
| 屈折率 | n20/D 1.454 |
| 引火点 | 83 °F |
| 外観・状態 | 微粘液 |
| 比重 | 1.05 |
| 色 | 無色～黄色～淡い琥珀色 |
| 溶解度 | 水には混和しません。 |
| BRN | 3679533 |
| InChI | 1S/4C3H7O.Zr/c4*1-2-3-4/h4*2-3H2,1H3/q4*-1+4 |
| InChIKey | XPGAWFIWCWKDDL-UHFFFAOYSA-N |
| SMILES | CCCO[Zr](OCCC)(OCCC)OCCC |
| LogP（分配係数） | 0.34 at 20℃ |
| CAS データベース | 23519-77-9(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Propanol, zirconium(4+) salt (23519-77-9) |
化学的特性
slightly viscous colorless to pale yellow solution
安全性と法規制
| GHS 分類 | DangerH226 (67.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 260 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Propanol, zirconium(4+) salt1-Propanol, zirconium(4+) salt (4:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, zirconium(4+) salt (4:1) 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: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/249021-Propanol, zirconium(4+) salt: 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. |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 健康有害性 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 反応性グループ | Bases, Strong |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | TETRA-N-PROPYL ZIRCONATE is an metal alkoxide, which is a strong base. |
| Air and Water Reactions | Flammable. Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (67.3%) |
| 消火 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 応急処置 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Protective Action Criteria (PAC) | 36 [mg/m3]300 [mg/m3]1800 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Immediately Dangerous to Life or Health (IDLH) | 25 mg Zr/m3 (NIOSH, 2024) |
| F | 10-21 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 1993 3/PG 3 |
| 税関コード | 29310099 |
| 危険文句（R） | 10-41-67 |
| 化審法 | (2)-226 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi |
| 安全措置（S） | 26-39 |
| 危険等級 | 3Eye Dam. 1Flam. Liq. 3STOT SE 3 |
| 包装等級 | II |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
Zirconium(IV) n-propoxide is used as a precursor in the production of zirconia. It is also used to study the thermophysical properties like thermal conductivity and thermal effusivity of hybrid films and thereby adjusting optic properties of the films.
一般的な説明
A yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Flash point below 141°F. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes.
製法・合成法
純化方法
Although it was reported that it could not be crystallised or sublimed even at 150o/10-4mm [Bradley & Wardlaw J Chem Soc 280 1951], the propoxide, when properly prepared, has been purifed by distillation in a high vacuum [Bradley et al. J Chem Soc 2025 1953]. [Beilstein 1 IV 1420.]