Triethyl orthoformate - Ultra dry, ≥98%, water≤30 ppm , CAS No.122-51-0

CAS: 122-51-0 Cat. No.: T1521162 Molecular Weight: 148.2 Beilstein Registry Number: 605384 EC Number: 204-550-4 PubChem CID: 31214

GRADE & PURITY Ultra dry, ≥98%, water≤30 ppm

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Triethyl orthoformate is a useful organic synthesis reagent for acetylization, imidic ester formation, and activated aromatic species formation.
A reagent useful for acetylization and imidic ester formation.

Specifications

Specifications & Purity

Ultra dry, ≥98%, water≤30 ppm

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Grade

Ultra dry

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC(OCC)OCC
• IUPAC Name: diethoxymethoxyethane
• InChIKey: GKASDNZWUGIAMG-UHFFFAOYSA-N
• INCHI: 1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
• Isomeric SMILES: CCOC(OCC)OCC
• WGK Germany: 1
• RTECS: RM6475000
• PubChem CID: 31214
• UN Number: 2524
• Packing Group: III
• Molecular Weight: 148.2
• Beilstein: 605384
• Reaxy-Rn: 605384

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ortho esters

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ortho esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho esters
• Alternative Parents: Carboxylic acid orthoesters Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
• 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: 1.39
• Flash Point(°F): 30℃
• Flash Point(°C): 30℃
• Boil Point(°C): 146°C
• Melt Point(°C): -61°C
• Molecular Weight: 148.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 148.11 Da
• Monoisotopic Mass: 148.11 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 51.600
• 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

References

1. Baojin Tan, Chao Zhao, Jing Wang, Aliya Tiemuer, Yuanyuan Zhang, Hui Yu, Yi Liu.  (2022)  Rational design of pH-activated upconversion luminescent nanoprobes for bioimaging of tumor acidic microenvironment and the enhancement of photothermal therapy.  Acta Biomaterialia,      [PMID:36087865] [10.1016/j.actbio.2022.08.078]

2. Ruiji Li, Dong Wang, Xiaoyun Li, Zehui Zhang, Wei Li.  (2022)  A visible-light-responsive DiSCn(3)-type fluorescent probe for the rapid, sensitive, and specific detection of tin(II) ions in aqueous solution.  JOURNAL OF CHEMICAL RESEARCH,      [PMID:] [10.1177/17475198221089833]

3. Liu Chun-Yu, Yuan Shang-Fu, Wang Song, Guan Zong-Jie, Jiang De-en, Wang Quan-Ming.  (2022)  Structural transformation and catalytic hydrogenation activity of amidinate-protected copper hydride clusters.  Nature Communications,  13  (1): (1-8).  [PMID:35440582] [10.1038/s41467-022-29819-y]

4. Si-Fu Tang, Xiao-Bo Pan, Xiao-Xia Lv, Xue-Bo Zhao.  (2012)  Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2012.08.052]

5. Xuan Liu, Lixia Yang, Rao Chen, Mei Han, Chaoqun Yao, Guangwen Chen.  (2024)  Continuous alkylation of 1,3,5-trihydroxy-2,4,6-trinitrobenzene in microreactor: Process intensification and reaction kinetics.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153544]