Trimethyl borate - ≥98% , CAS No.121-43-7

CAS: 121-43-7 Cat. No.: T104043 Formula: C₃H₉BO₃ Molecular Weight: 103.91 Beilstein Registry Number: 1697939 EC Number: 204-468-9

GRADE & PURITY ≥98%

Synonyms

CHEBI:38913 | Trimethyl borate-11B | Boric acid (H3BO3), trimethyl ester | trimethoxy borane | Trimethoxyborane | Urea,N-(cyclohexylmethyl)-N'-cyclopentyl- | trimethyl boric acid | Borester O | MFCD00008346 | Trimethyl borate, purified by redistillation,

Storage

Room temperature,Argon charged

Shipped In

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Overview

Trimethyl borate reacts with a Grignard reagent or organolithium compounds to yield dimethyl boronates, which upon subsequent aqueous acid treatment afford corresponding boronic acids. The resultant boronic acids or esters are useful intermediates in various cross-coupling reactions such as Suzuki coupling and Chan-Lam coupling.It is also used in the preparation of sodium borohydride.

Specifications

Synonyms

CHEBI:38913 | Trimethyl borate-11B | Boric acid (H3BO3), trimethyl ester | trimethoxy borane | Trimethoxyborane | Urea,N-(cyclohexylmethyl)-N'-cyclopentyl- | trimethyl boric acid | Borester O | MFCD00008346 | Trimethyl borate, purified by redistillation,

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508815486
• Canonical Smiles: B(OC)(OC)OC
• IUPAC Name: trimethyl borate
• InChIKey: WRECIMRULFAWHA-UHFFFAOYSA-N
• INCHI: 1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
• Isomeric SMILES: B(OC)(OC)OC
• WGK Germany: 1
• RTECS: ED5600000
• UN Number: 2416
• Packing Group: II
• Molecular Weight: 103.91
• Beilstein: 1697939
• Reaxy-Rn: 1697939

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxoanionic compounds
• Alternative Parents: Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic borate - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxoanionic compounds. These are organic compounds containing an oxoanion.
• External Descriptors: borate esters

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: Miscible with tetrahydrofuran, ether, isoporpylamine, hexane and methanol.
• Sensitivity: moisture sensitive
• x_refractive_index: 1.3562-1.3582
• x_flash_point_drop_fahrenheit: 17.6 °F
• x_flash_point_drop_centigrade: -8℃
• x_boil_point_char: 67-69°C
• x_melt_point_char: -29°C
• Molecular Weight: 103.920 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 104.064 Da
• Monoisotopic Mass: 104.064 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 31.700
• 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: 1

XLogP3