基本情報
- 標準SMILES
CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]- InChIKey
XPGAWFIWCWKDDL-UHFFFAOYSA-N- 分子式
- C12H28O4Zr
- 平均分子量
- 327.57 g/mol
- 単同位体質量
- 326.10346378
概要
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.
名称と識別子
- 優先名称
- Zirconium(IV) propoxide
- IUPAC
- tetrakis(propan-1-olate);zirconium(4+)
名称と別名
Zirconium(IV) PropoxideZirconium tetrapropanolate1-Propanol, zirconium(4+) saltPropyl alcohol, zirconium(4+) saltA7Z4N4E80XTetra-n-propyl zirconateDTXSID6046975RefChem:905273DTXCID4026975245-711-923519-77-9Zirconium(IV) Tetrapropoxide
名称をさらに表示
propan-1-olate;zirconium(4+)zirconium propoxidezirconium(iv) n-propoxideUNII-A7Z4N4E80XEINECS 245-711-9MFCD000153071-Propanol, zirconium(4+) salt (4:1)TETRAPROPOXYZIRCONIUM
データベース識別子
- CAS
23519-77-9- PubChem CID
- 90139
- DTXSID
DTXSID6046975- UNII
- A7Z4N4E80X
- EC Number
- 245-711-9
物性
構造計算による物性
- 極性表面積
- 92.2 Ų
- 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
実験および物理化学的性質
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
安全と法規制
GHS分類
GHS Classification
Danger
H226 (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.
危険有害性情報
Regulatory Information
Chemical: 1-Propanol, zirconium(4+) salt
1-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/24902
1-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.
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupBases, Strong
Reactivity AlertsHighly Flammable
Reactivity ProfileTETRA-N-PROPYL ZIRCONATE is an metal alkoxide, which is a strong base.
Air and Water ReactionsFlammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (67.3%)
安全と保護具
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt 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)
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
1-Propanol, zirconium(4+) salt (4:1): ACTIVE
関連反応
3 件
関連ノート
読み込み中…