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

CAS: 6627-89-0 Cat. No.: E492223 Summenformel: C₁₁H₁₄O₃ Molekulargewicht: 194.23 Beilstein Registry Number: 2361602 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥88%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥88%

Namen und Kennungen

Pubchem Sid

508812840

Kanonisches Lächeln

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

Isomere SMILES

CC(C)(C)OC(=O)OC1=CC=CC=C1

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.48
• Flammpunkt (°F): 213.8 °F
• Flammpunkt (°C): 101°C
• Siedepunkt (°C): 78°C/0.5mmHg
• Molekulargewicht: 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