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

CAS: 31139-36-3 Cat. No.: D154141 Formule: C₁₆H₁₄O₅ Poids moléculaire: 286.28 Beilstein Registry Number: 4324800 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528769740
• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C(C=C1)COC(=O)OC(=O)OCC2=CC=CC=C2
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive,Heat Sensitive
• Point de fusion (°C): 23 °C
• Poids moléculaire: 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