Dibenzyl Dicarbonate - ≥97% , CAS No.31139-36-3

CAS: 31139-36-3 Cat. No.: D154141 Peso molecular: 286.28 Beilstein Registry Number: 4324800 Número EC: 629-545-8

GRADE & PURITY ≥97%

Synonyms

Z2O | MFCD00043124 | Dibenzyl dicarbonate | FS-4658 | SCHEMBL48133 | FHRRJZZGSJXPRQ-UHFFFAOYSA-N | Benzyl Phenylmethoxycarbonyl Carbonate | Dibenzyl dicarbonate, 97% | Dicarbonic acid, bis(phenylmethyl) ester | P1281 | FT-0638952 | J-018255 | (PhCH2OCO)2O

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Z2O | MFCD00043124 | Dibenzyl dicarbonate | FS-4658 | SCHEMBL48133 | FHRRJZZGSJXPRQ-UHFFFAOYSA-N | Benzyl Phenylmethoxycarbonyl Carbonate | Dibenzyl dicarbonate, 97% | Dicarbonic acid, bis(phenylmethyl) ester | P1281 | FT-0638952 | J-018255 | (PhCH2OCO)2O

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)OC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl phenylmethoxycarbonyl carbonate
• InChIKey: FHRRJZZGSJXPRQ-UHFFFAOYSA-N
• INCHI: 1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)OC(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 286.28
• Beilstein: 4324800
• Reaxy-Rn: 4324796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4324796&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Organic carbonic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - 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 benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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: Moisture Sensitive,Heat Sensitive
• Punto de fusión (°C): 23 °C
• Peso molecular: 286.280 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 286.084 Da
• Monoisotopic Mass: 286.084 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 298.000
• 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