2,2,2-Trichloro-1,1-dimethylethyl chloroformate - ≥98% , CAS No.66270-36-8

CAS: 66270-36-8 Cat. No.: T304315 Peso molecular: 239.91 Número EC: 266-293-4 PubChem CID: 5106606

GRADE & PURITY ≥98%

Synonyms

GMELMFSDPDSXOZ-UHFFFAOYSA-N | TCBoc-chloride | D93168 | MFCD00000801 | beta,beta,beta-Trichloro-tert-butoxycarbonyl chloride | SCHEMBL56282 | A-Trichloro-tert-butoxycarbonyl chloride | 2,2,2-TRICHLORO-1,1-DIMETHYLETHYL CARBONOCHLORIDATE | 1,1,1-trichloro-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

The solvolysis rate constants of 2,2,2-trichloro-1,1-dimethylethyl chloroformate in binary and pure solvents was studied

Specifications

Sinónimos

GMELMFSDPDSXOZ-UHFFFAOYSA-N | TCBoc-chloride | D93168 | MFCD00000801 | beta, beta, beta-Trichloro-tert-butoxycarbonyl chloride | SCHEMBL56282 | A-Trichloro-tert-butoxycarbonyl chloride | 2, 2, 2-TRICHLORO-1, 1-DIMETHYLETHYL CARBONOCHLORIDATE | 1, 1, 1-trichloro-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

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

• Sonrisas canónicas: CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl
• IUPAC Name: (1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate
• InChIKey: GMELMFSDPDSXOZ-UHFFFAOYSA-N
• INCHI: 1S/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3
• Isómeros SMILES: CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl
• WGK Alemania: 3
• PubChem CID: 5106606
• Peso molecular: 239.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - 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 organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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

• Solubilidad: ethanol: soluble 10%, clear, colorless
• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 83-84℃14\xa0mm Hg(lit.)
• Punto de fusión (°C): 28-30℃(lit.)
• Peso molecular: 239.900 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 239.909 Da
• Monoisotopic Mass: 237.912 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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