Bis(2,2,2-trichloroethyl) azodicarboxylate - ≥98% , CAS No.38857-88-4

CAS: 38857-88-4 Cat. No.: B196193 Molecular Weight: 380.82 Beilstein Registry Number: 2141530 EC Number: 627-927-9

GRADE & PURITY ≥98%

Synonyms

SCHEMBL736931 | 2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylimino)carbamate | FT-0639500 | LIEOEYTUTSDYKB-UHFFFAOYSA-N | (E)-bis(2,2,2-trichloroethyl) diazene-1,2-dicarboxylate | Bis(2,2,2-trichloroethyl) azodicarboxylate | bis(2,2,2-trichloroeth

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Thermal inverse-type hetero-Diels-Alder reaction of O-silyl-protected lactal and bis(2,2,2-trichloroethyl) azodicarboxylate has been reported.

Specifications

Synonyms

SCHEMBL736931 | 2, 2, 2-trichloroethyl N-(2, 2, 2-trichloroethoxycarbonylimino)carbamate | FT-0639500 | LIEOEYTUTSDYKB-UHFFFAOYSA-N | (E)-bis(2, 2, 2-trichloroethyl) diazene-1, 2-dicarboxylate | Bis(2, 2, 2-trichloroethyl) azodicarboxylate | bis(2, 2, 2-trichloroeth

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763103
• Canonical Smiles: C(C(Cl)(Cl)Cl)OC(=O)N=NC(=O)OCC(Cl)(Cl)Cl
• IUPAC Name: 2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylimino)carbamate
• InChIKey: LIEOEYTUTSDYKB-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl6N2O4/c7-5(8,9)1-17-3(15)13-14-4(16)18-2-6(10,11)12/h1-2H2
• Isomeric SMILES: C(C(Cl)(Cl)Cl)OC(=O)N=NC(=O)OCC(Cl)(Cl)Cl
• WGK Germany: 3
• Molecular Weight: 380.82
• Beilstein: 2141530
• Reaxy-Rn: 2141527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2141527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Azo compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Azo compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo compounds
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo compounds. These are derivatives of diazene(diimide), HN=NH, wherein both hydrogens are substituted by hydrocarbyl groups, e.g. PhN=NPh azobenzene or diphenyldiazene.
• 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

• Melt Point(°C): 109-111 °C
• Molecular Weight: 380.800 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 379.827 Da
• Monoisotopic Mass: 377.83 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 304.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1