Titanium(IV) propoxide - ≥98% , CAS No.3087-37-4

CAS: 3087-37-4 Cat. No.: T349490 分子式: C₁₂H₂₈O₄Ti 分子量: 284.219 EC番号: 221-411-3 PubChem CID: 9903917

GRADE & PURITY ≥98%

Synonyms

HKJYVRJHDIPMQB-UHFFFAOYSA-N | Titanium(IV) propoxide | B3FYW24GEN | 1-Propanol, titanium(4+) salt (4:1) | NCGC00263123-01 | propan-1-olate;titanium(4+) | PROPYL ALCOHOL, TITANIUM(4+) SALT | Tetrapropylorthotitanate [UN2413] [Flammable liquid] | titanium

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

同義語

HKJYVRJHDIPMQB-UHFFFAOYSA-N | Titanium(IV) propoxide | B3FYW24GEN | 1-Propanol, titanium(4+) salt (4:1) | NCGC00263123-01 | propan-1-olate;titanium(4+) | PROPYL ALCOHOL, TITANIUM(4+) SALT | Tetrapropylorthotitanate [UN2413] [Flammable liquid] | titanium

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥98%

名前と識別子

• パブケム・シド: 504765067
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504765067
• カノニカル・スマイル: CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Ti+4]
• IUPAC Name: propan-1-olate;titanium(4+)
• InChIKey: HKJYVRJHDIPMQB-UHFFFAOYSA-N
• INCHI: 1S/4C3H7O.Ti/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
• 異性体SMILES: CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Ti+4]
• PubChem CID: 9903917
• UN番号: 2413
• 包装グループ: III
• 分子量: 284.219

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • 分類 Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• 分類: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 感度: Sensitive to humidity and heat
• 引火点（°C）: 38℃
• 沸点（°C）: 170 °C/3 mmHg
• 融点（°C）: 20 °C，68 °F
• 分子量: 284.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 284.147 Da
• Monoisotopic Mass: 284.147 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 7.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

参考文献

1. Baolin Yan, Lijuan Zhang, Zhiyong Tang, Mohammad Al-Mamun, Huijun Zhao, Xintai Su.  (2017)  Palladium-decorated hierarchical titania constructed from the metal-organic frameworks NH2-MIL-125(Ti) as a robust photocatalyst for hydrogen evolution.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2017.07.020]

2. Hao Liu, Xiao Zhang, Qiang Xu, Yanmei Jin, Shuliang Lv, Haihui Liu.  (2025)  Oxygen Vacancy-Driven Embedded Electric Fields in TiO2–x/SiOx Anodes for Superior Lithium-Ion Battery Performance.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c00409]