Titanium(IV) t-butoxide - ≥99.95% metals basis , CAS No.3087-39-6

CAS: 3087-39-6 Cat. No.: T282372 Molecular Weight: 340.35 EC Number: 221-412-9

GRADE & PURITY ≥99.95% metals basis

Synonyms

Titanium(IV) tert-butoxide | 2-methylpropan-2-ol;titanium | Titanium tetra-tert-butoxide | Titanium(IV) tert-butoxide, deposition grade | F88228 | SY066695 | tetra-tert-butoxytitanium | SCHEMBL104001 | Titanium( cento) T-butoxide | Titanium(IV) t-butoxide

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

Titanium(IV) tert-butoxide | 2-methylpropan-2-ol;titanium | Titanium tetra-tert-butoxide | Titanium(IV) tert-butoxide, deposition grade | F88228 | SY066695 | tetra-tert-butoxytitanium | SCHEMBL104001 | Titanium( cento) T-butoxide | Titanium(IV) t-butoxide

Specifications & Purity

≥99.95% metals basis

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99.95% metals basis

Names and Identifiers

• Pubchem Sid: 504761049
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761049
• Canonical Smiles: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Ti]
• IUPAC Name: 2-methylpropan-2-ol;titanium
• InChIKey: IZXRSZNHUSJWIQ-UHFFFAOYSA-N
• INCHI: 1S/4C4H10O.Ti/c4*1-4(2,3)5;/h4*5H,1-3H3
• Isomeric SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Ti]
• Molecular Weight: 340.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tertiary alcohol - Organic transition metal salt - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

• Sensitivity: moisture sensitive
• Flash Point(°F): 117.0 °F
• Flash Point(°C): 47.2 °C
• Boil Point(°C): 70°C/0.2mm
• Molecular Weight: 344.350 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 344.241 Da
• Monoisotopic Mass: 344.241 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 154.000
• 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

References

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