Lithium tert-butoxide - ≥97% , CAS No.1907-33-1

CAS: 1907-33-1 Cat. No.: L110963 Molecular Weight: 80.05 Beilstein Registry Number: 3620018 EC Number: 217-611-5

GRADE & PURITY ≥97%

Synonyms

lithium tbutoxide | lithium t-butoxide | lithium(1+) ion 2-methylpropan-2-olate | LiOtBu | 2-Methyl-2-propanol lithium salt | lithium tertbutoxide | Lithium tert-butoxide | Tussol: | L0253 | Lithium t-butoxide, 1M in THF | Lithium tert -butanolate | lithi

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

lithium tbutoxide | lithium t-butoxide | lithium(1+) ion 2-methylpropan-2-olate | LiOtBu | 2-Methyl-2-propanol lithium salt | lithium tertbutoxide | Lithium tert-butoxide | Tussol: | L0253 | Lithium t-butoxide, 1M in THF | Lithium tert -butanolate | lithi

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: [Li+].CC(C)(C)[O-]
• IUPAC Name: lithium;2-methylpropan-2-olate
• InChIKey: LZWQNOHZMQIFBX-UHFFFAOYSA-N
• INCHI: 1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1
• Isomeric SMILES: [Li+].CC(C)(C)[O-]
• WGK Germany: 3
• UN Number: 3206
• Packing Group: II
• Molecular Weight: 80.05
• Beilstein: 3620018
• Reaxy-Rn: 8541101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8541101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic lithium salts
• Alternative Parents: Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic lithium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic lithium salts. These are organic compounds containing a lithium ion.
• 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: Hygroscopic；Moisture sensitive
• Flash Point(°F): -18.4 °F
• Flash Point(°C): -28 °C
• Boil Point(°C): 110 °C/at 0.1333 hPa
• Molecular Weight: 80.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 80.0813 Da
• Monoisotopic Mass: 80.0813 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.000
• 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: 2

XLogP3

References

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