Diethylmethoxyborane - 1.0 M in THF , CAS No.7397-46-8

CAS: 7397-46-8 Cat. No.: D164492 Molecular Weight: 99.97 EC Number: 425-380-9

GRADE & PURITY 1.0 M in THF

Synonyms

Diethylmethoxyborane, 97% | Methyl diethylborinate | CCG-355662 | Methyl diethylborinate # | methyl esterb,b-diethyl-borinic acid | Borinic acid, diethyl-, methyl ester | AKOS015915365 | EN300-102558 | diethyl methoxyborane | Diethylmethoxyborane | diethy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Diethylmethoxyborane, 97% | Methyl diethylborinate | CCG-355662 | Methyl diethylborinate # | methyl esterb, b-diethyl-borinic acid | Borinic acid, diethyl-, methyl ester | AKOS015915365 | EN300-102558 | diethyl methoxyborane | Diethylmethoxyborane | diethy

Specifications & Purity

1.0 M in THF

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: B(CC)(CC)OC
• IUPAC Name: diethyl(methoxy)borane
• InChIKey: FESAXEDIWWXCNG-UHFFFAOYSA-N
• INCHI: 1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
• Isomeric SMILES: B(CC)(CC)OC
• WGK Germany: 2
• Molecular Weight: 99.97
• Reaxy-Rn: 2231225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2231225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Borinic acid derivatives
      • Subclass Borinic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Borinic acid derivatives
• Subclass: Borinic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Borinic acid esters
• Alternative Parents: Organic metalloid salts Dialkylboranes Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Borinic acid ester - Dialkylborane - Organic metalloid salt - Organic oxygen compound - Alkylborane - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as borinic acid esters. These are compounds comprising the boronic acid ester functional group RB(R')OR'' (R,R',R''=organyl; X= any O,N,Hal residue).
• 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): 19.4 °F
• Flash Point(°C): -7 °C
• Molecular Weight: 99.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.106 Da
• Monoisotopic Mass: 100.106 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.100
• 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