2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥95% , CAS No.1126-93-8

CAS: 1126-93-8 Cat. No.: E156077 Molecular Weight: 172.03 EC Number: 805-832-5

GRADE & PURITY ≥95%

Synonyms

A851139 | Ethoxyboronic Acid Pinacol Ester | D80491 | MFCD22054335 | E0982 | 1,3,2-Dioxaborolane, 2-ethoxy-4,4,5,5-tetramethyl | 1,3,2-Dioxaborolane, 2-ethoxy-4,4,5,5-tetramethyl- | SCHEMBL6493277 | 2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaboralane | AS-55

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

A851139 | Ethoxyboronic Acid Pinacol Ester | D80491 | MFCD22054335 | E0982 | 1, 3, 2-Dioxaborolane, 2-ethoxy-4, 4, 5, 5-tetramethyl | 1, 3, 2-Dioxaborolane, 2-ethoxy-4, 4, 5, 5-tetramethyl- | SCHEMBL6493277 | 2-Ethoxy-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaboralane | AS-55

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)OCC
• IUPAC Name: 2-ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: AWCHCIVACATJJS-UHFFFAOYSA-N
• INCHI: 1S/C8H17BO3/c1-6-10-9-11-7(2,3)8(4,5)12-9/h6H2,1-5H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)OCC
• Molecular Weight: 172.03
• Reaxy-Rn: 1905371
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxaborolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxaborolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxaborolanes
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organic oxoanionic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,2-dioxaborolane - Organic borate - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three 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

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.41
• Flash Point(°C): 15 °C
• Boil Point(°C): 32°C/5.3mmHg(lit.)
• Molecular Weight: 172.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.127 Da
• Monoisotopic Mass: 172.127 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 152.000
• 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: 1

XLogP3