Decyl Chloroformate - ≥95%(T) , CAS No.55488-51-2

CAS: 55488-51-2 Cat. No.: D154508 Molecular Weight: 220.74 Beilstein Registry Number: 3(3)283 EC Number: 259-668-9

GRADE & PURITY ≥95%(T)

Synonyms

F8880-1752 | AS-81545 | dec-1-yl chlorocarbonate | AMY4023 | EINECS 259-668-9 | D89397 | Decyl chloroformate | chloro(decyloxy)methanone | chloroformic acid n-decyl ester | decylcarbonochloridate | n-decyl chloroformate | SCHEMBL874557 | decanyl chlorofor

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Decyl chloroformate is an n-alkyl chloroformate derivative that can be prepared by reacting decyl alcohol with triphosgene.
Decyl chloroformate may be used in the preparation of (S)-(+)-N-decoxycarbonyl-leucine, a chiral surfactant. It may also be used to synthesize decyl chloride via decarboxylation in the presence of dimethylformamide.

Specifications

Synonyms

F8880-1752 | AS-81545 | dec-1-yl chlorocarbonate | AMY4023 | EINECS 259-668-9 | D89397 | Decyl chloroformate | chloro(decyloxy)methanone | chloroformic acid n-decyl ester | decylcarbonochloridate | n-decyl chloroformate | SCHEMBL874557 | decanyl chlorofor

Specifications & Purity

≥95%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 504756655
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756655
• Canonical Smiles: CCCCCCCCCCOC(=O)Cl
• IUPAC Name: decyl carbonochloridate
• InChIKey: AZZCHVHSWUYCQA-UHFFFAOYSA-N
• INCHI: 1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3
• Isomeric SMILES: CCCCCCCCCCOC(=O)Cl
• WGK Germany: 3
• Molecular Weight: 220.74
• Beilstein: 3(3)283
• Reaxy-Rn: 1767317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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: 1.44
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 163 °C/44 mmHg
• Molecular Weight: 220.730 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 220.123 Da
• Monoisotopic Mass: 220.123 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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