Benzyl chloroformate(Cbz-Cl) - ≥96%, contains 0.1% sodium carbonate as stabilizer , CAS No.501-53-1

CAS: 501-53-1 Cat. No.: B105737 Molecular Weight: 170.59 Beilstein Registry Number: 509751 EC Number: 207-925-0

GRADE & PURITY ≥96%, contains 0.1% sodium carbonate as stabilizer

Synonyms

Carbobenzoxy chloride | Cbz chloride | Chloroformic Acid Benzyl Ester | Benzyl chlorocarbonate | Benzyloxycarbonyl chloride | Benzyl carbonochloridate | Cbz-Cl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Synonyms

Carbobenzoxy chloride | Cbz chloride | Chloroformic Acid Benzyl Ester | Benzyl chlorocarbonate | Benzyloxycarbonyl chloride | Benzyl carbonochloridate | Cbz-Cl

Specifications & Purity

≥96%, contains 0.1% sodium carbonate as stabilizer

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads, FedEx DG Service

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

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC(=O)Cl
• IUPAC Name: benzyl carbonochloridate
• InChIKey: HSDAJNMJOMSNEV-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)Cl
• WGK Germany: 2
• RTECS: LQ5860000
• UN Number: 1739
• Packing Group: I
• Molecular Weight: 170.59
• Beilstein: 509751
• Reaxy-Rn: 509751
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509751&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: Organic carbonic acids and derivatives Organochlorides 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 - Organochloride - Organohalogen 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with ether, acetone and benzene
• Sensitivity: Heat and moisture sensitive
• Refractive Index: 1.516-1.518
• Flash Point(°F): 92℃
• Flash Point(°C): 92℃
• Boil Point(°C): 130℃/20mmHg
• Melt Point(°C): -20°C
• Molecular Weight: 170.590 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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

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