Titanium(IV) chloride tetrahydrofuran complex - ≥96% , CAS No.31011-57-1

CAS: 31011-57-1 Cat. No.: T303408 Molecular Weight: 333.89 EC Number: 629-224-2 PubChem CID: 10958563

GRADE & PURITY ≥96%

Synonyms

SCHEMBL1099404 | F87284 | DTXSID90449843 | TETRACHLOROBIS(TETRAHYDROFURAN)TITANIUM (IV) | SY061421 | MFCD00077884 | TETRACHLOROBIS(TETRAHYDROFURAN)TITANIUM(IV) | TiCl4(thf)2 | Tetrachlorobis(tetrahydrofuran)titanium | FT-0759151 | oxolane | tetrachlorotit

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL1099404 | F87284 | DTXSID90449843 | TETRACHLOROBIS(TETRAHYDROFURAN)TITANIUM (IV) | SY061421 | MFCD00077884 | TETRACHLOROBIS(TETRAHYDROFURAN)TITANIUM(IV) | TiCl4(thf)2 | Tetrachlorobis(tetrahydrofuran)titanium | FT-0759151 | oxolane | tetrachlorotit

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1CCOC1.C1CCOC1.Cl[Ti](Cl)(Cl)Cl
• IUPAC Name: oxolane;tetrachlorotitanium
• InChIKey: LXWBMENBONGPSB-UHFFFAOYSA-J
• INCHI: 1S/2C4H8O.4ClH.Ti/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4
• Isomeric SMILES: C1CCOC1.C1CCOC1.Cl[Ti](Cl)(Cl)Cl
• WGK Germany: 3
• PubChem CID: 10958563
• Molecular Weight: 333.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Organic transition metal salts Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Oxolane - Oxacycle - Organic metal salt - Organic transition metal salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
• 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

• Solubility: Reacts with water
• Sensitivity: Moisture sensitive；Air sensitive
• Flash Point(°F): 1.4 °F
• Flash Point(°C): -17 °C
• Boil Point(°C): 68.3ºC at 760mmHg
• Melt Point(°C): 126-128 °C
• Molecular Weight: 333.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 333.935 Da
• Monoisotopic Mass: 331.938 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 41.900
• 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: 3

XLogP3