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

CAS: 38857-88-4 Cat. No.: B196193 Peso molecular: 380.82 Beilstein Registry Number: 2141530 Número EC: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763103
• Sonrisas canónicas: 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
• Isómeros SMILES: C(C(Cl)(Cl)Cl)OC(=O)N=NC(=O)OCC(Cl)(Cl)Cl
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Organonitrogen compounds
      • Subclass Azo compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 109-111 °C
• Peso molecular: 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