Benzyl Phenyl Carbonate - ≥95%(GC) , CAS No.28170-07-2

CAS: 28170-07-2 Cat. No.: B153165 Molecular Weight: 228.25 Beilstein Registry Number: 6437 EC Number: 608-171-9

GRADE & PURITY ≥95%(GC)

Synonyms

Benzyl phenyl carbonate | B3574 | MFCD07784341 | AKOS015840331 | SNGLYCMNDNOLOF-UHFFFAOYSA- | DTXSID20457991 | AS-10178 | SCHEMBL697595 | C93458 | Phenyl benzyl carbonate | J-016997 | BENZYLPHENYLCARBONATE | Carbonic acid, phenyl phenylmethyl ester | SY05

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Benzyl phenyl carbonate can be used to synthesize carbamate protected polyamines.

Benzyl phenyl carbonate can be synthesized by reacting phenyl chloroformate with benzyl alcohol in the presence of pyridine.

Specifications

Synonyms

Benzyl phenyl carbonate | B3574 | MFCD07784341 | AKOS015840331 | SNGLYCMNDNOLOF-UHFFFAOYSA- | DTXSID20457991 | AS-10178 | SCHEMBL697595 | C93458 | Phenyl benzyl carbonate | J-016997 | BENZYLPHENYLCARBONATE | Carbonic acid, phenyl phenylmethyl ester | SY05

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504766133
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766133
• Canonical Smiles: C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2
• IUPAC Name: benzyl phenyl carbonate
• InChIKey: SNGLYCMNDNOLOF-UHFFFAOYSA-N
• INCHI: 1S/C14H12O3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 228.25
• Beilstein: 6437
• Reaxy-Rn: 2114960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2114960&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Phenoxy compounds Carbonic acid diesters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Phenoxy compound - Carbonic acid diester - 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.55
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 131°C
• Molecular Weight: 228.240 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 228.079 Da
• Monoisotopic Mass: 228.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 228.000
• 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