Trimethylene borate - ≥98% , CAS No.20905-35-5

CAS: 20905-35-5 Cat. No.: T357053 Formule: C₉H₁₈B₂O₆ Poids moléculaire: 243.86 PubChem CID: 88725

GRADE & PURITY ≥98%

Synonyms

2-[3-(1,3,2-Dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane # | 2,2'-Propane-1,3-diyldioxy-bis-[1,3,2]-dioxaborinane | SCHEMBL3457957 | J-013709 | Trimethylene borate | 4-(2-pyrrolidin-1-yl-ethyl)aniline | 1,3-bis(1,3,2-dioxaborinan-2-yloxy)propane | AK

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Reagent for the preparation of alkylboronic acids and esters.

Specifications

Synonymes

2-[3-(1,3,2-Dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane # | 2,2'-Propane-1,3-diyldioxy-bis-[1,3,2]-dioxaborinane | SCHEMBL3457957 | J-013709 | Trimethylene borate | 4-(2-pyrrolidin-1-yl-ethyl)aniline | 1,3-bis(1,3,2-dioxaborinan-2-yloxy)propane | AK

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488186516

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186516

Sourires canoniques

B1(OCCCO1)OCCCOB2OCCCO2

IUPAC Name

2-[3-(1,3,2-dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane

InChIKey

FZNHHPNJQSIEPT-UHFFFAOYSA-N

INCHI

1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2

Isomères SMILES

B1(OCCCO1)OCCCOB2OCCCO2

PubChem CID

88725

Poids moléculaire

243.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organic oxoanionic compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organic oxoanionic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxoanionic compounds
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organic borate - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic heteromonocyclic 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: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.454
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110°C
• Point d'ébullition (°C): 145-148°C
• Poids moléculaire: 243.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 244.129 Da
• Monoisotopic Mass: 244.129 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 176.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20905-35-5, the molecular formula is C9H18B2O6, and the molecular weight is 243.86 g/mol. InChIKey FZNHHPNJQSIEPT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.