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

CAS: 55488-51-2 Cat. No.: D154508 Formule: C₁₁H₂₁ClO₂ Poids moléculaire: 220.74 Beilstein Registry Number: 3(3)283 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥95%(T)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%(T)

Noms et identifiants

• Pubchem Sid: 504756655
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756655
• Sourires canoniques: 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
• Isomères SMILES: CCCCCCCCCCOC(=O)Cl
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.44
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): 110 °C
• Point d'ébullition (°C): 163 °C/44 mmHg
• Poids moléculaire: 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