Titanium trichloride tetrahydrofuran complex - ≥95% , CAS No.18039-90-2

CAS: 18039-90-2 Cat. No.: B300059 Molecular Weight: 370.54 EC Number: 605-895-7 PubChem CID: 6097232

GRADE & PURITY ≥95%

Synonyms

Trichlorotris(THF)titanium | Titanium trichloride tris(tetrahydrofuran) | Titanium,trichlorotris(tetrahydrofuran)- | AKOS015914522 | E78639 | oxolane;trichlorotitanium | MFCD01631276 | trichlorotris(tetrahydrofuran)titanium(iii) | trichlorotris(tetrahydro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Trichlorotris(THF)titanium | Titanium trichloride tris(tetrahydrofuran) | Titanium, trichlorotris(tetrahydrofuran)- | AKOS015914522 | E78639 | oxolane;trichlorotitanium | MFCD01631276 | trichlorotris(tetrahydrofuran)titanium(iii) | trichlorotris(tetrahydro

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCOC1.C1CCOC1.C1CCOC1.Cl[Ti](Cl)Cl
• IUPAC Name: oxolane;trichlorotitanium
• InChIKey: MIDYWIPTCYRMQF-UHFFFAOYSA-K
• INCHI: 1S/3C4H8O.3ClH.Ti/c3*1-2-4-5-3-1;;;;/h3*1-4H2;3*1H;/q;;;;;;+3/p-3
• Isomeric SMILES: C1CCOC1.C1CCOC1.C1CCOC1.Cl[Ti](Cl)Cl
• PubChem CID: 6097232
• Molecular Weight: 370.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Organic transition metal salts Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tetrahydrofuran - Oxacycle - Organic metal salt - Organic transition metal salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Chemical and Physical Properties

• Molecular Weight: 370.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 369.027 Da
• Monoisotopic Mass: 369.027 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 30.800
• 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: 4

XLogP3