HCID3083750

Zirconium(4+) propan-2-olate

tetrakis(propan-2-olate);zirconium(4+)

C12H28O4Zr327.57 g/molCAS 2171-98-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准 SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]
InChIKey: ZGSOBQAJAUGRBK-UHFFFAOYSA-N
分子式: C12H28O4Zr
平均分子量: 327.57 g/mol
单同位素质量: 326.103458

COMPUTED

结构计算性质

已同步

极性表面积: 92.2 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 17
形式电荷: 0
复杂度: 10

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

White crystals; [MSDSonline]

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

HAZARDS

危害信息

来源：PubChem

Hazards Summary

An irritant; Absorbs moisture and releases isopropyl alcohol; [MSDSonline] See Isopropyl alcohol and Zirconium.

Hazard Classes and Categories

Flam. Sol. 2 (100%)

SAFETY

安全与防护

来源：PubChem

Exposure Control and Personal Protection

1.0 [mg/m3], inhalable fraction (metal and insol. cmpds.)[German Research Foundation (DFG)]

Threshold Limit Values (TLV)

5.0 [mg/m3], as Zr

10.0 [mg/m3], as Zr

Permissible Exposure Limit (PEL)

5.0 [mg/m3], as Zr (compounds)

Immediately Dangerous to Life or Health (IDLH)

25.0 [mg/m3], as Zr

USES

用途与制造

来源：PubChem

Uses

Available as mixture with 15% isopropyl alcohol; [MSDSonline]

ALIASES

名称与别名

共 20 条

Zirconium(4+) propan-2-olate2171-98-4EINECS 218-522-4DTXSID30176101RefChem:196153DTXCID6098592UN3178Zirconium isopropanolate, isopropanol adductZirconium (IV) ipropoxide (isopropanol adduct) (99.9%Zr)218-522-4propan-2-olate;zirconium(4+)zirconium tetraisopropoxidezirconium(IV) isopropoxidezirconium(1V) isopropoxideSCHEMBL1326332-Propanol, zirconium(4+) saltZirconium(4+) tetrapropan-2-olateMFCD00078045AKOS015904518NS00083566

REACTIONS