ert-Butyl phenyl carbonate - ≥88% , CAS No.6627-89-0

CAS: 6627-89-0 Cat. No.: E492223 Peso molecular: 194.23 Beilstein Registry Number: 2361602 Número EC: 229-601-8

GRADE & PURITY ≥88%

Synonyms

AC-6298 | EINECS 229-601-8 | STL555526 | Carbonic acid, 1,1-dimethylethyl phenyl ester | t-Butyl phenyl carbonate | tert-Butyl phenyl carbonate, 98% | B3590 | EN300-1696955 | SY012265 | BBL101729 | CHEBI:53016 | UXWVQHXKKOGTSY-UHFFFAOYSA- | DTXSID90216471

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AC-6298 | EINECS 229-601-8 | STL555526 | Carbonic acid, 1, 1-dimethylethyl phenyl ester | t-Butyl phenyl carbonate | tert-Butyl phenyl carbonate, 98% | B3590 | EN300-1696955 | SY012265 | BBL101729 | CHEBI:53016 | UXWVQHXKKOGTSY-UHFFFAOYSA- | DTXSID90216471

Especificaciones y pureza

≥88%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥88%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)OC1=CC=CC=C1
• IUPAC Name: tert-butyl phenyl carbonate
• InChIKey: UXWVQHXKKOGTSY-UHFFFAOYSA-N
• INCHI: 1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)OC1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 194.23
• Beilstein: 2361602
• Reaxy-Rn: 2361602
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2361602&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Carbonic acid diesters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Carbonic acid diester - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°F): 213.8 °F
• Punto de inflamación (°C): 101°C
• Punto de ebullición (°C): 78°C/0.5mmHg
• Peso molecular: 194.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 187.000
• 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