Dodecyl Chloroformate - ≥90%(GC) , CAS No.24460-74-0

CAS: 24460-74-0 Cat. No.: L133758 Peso molecular: 248.79 Beilstein Registry Number: 4(3)28 Número EC: 246-272-6

GRADE & PURITY ≥90%(GC)

Synonyms

Chloroformic Acid Dodecyl Ester | dodecyl carbonochloridate | Chloroformic Acid Lauryl Ester | Carbonochloridic acid, dodecyl ester | Q-201283 | Dodecyl chloroformate, 98% | DTXSID70179217 | Lauryl Chloroformate | MFCD00059483 | n-dodecyl chloroformate |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Chloroformic Acid Dodecyl Ester | dodecyl carbonochloridate | Chloroformic Acid Lauryl Ester | Carbonochloridic acid, dodecyl ester | Q-201283 | Dodecyl chloroformate, 98% | DTXSID70179217 | Lauryl Chloroformate | MFCD00059483 | n-dodecyl chloroformate |

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥90%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCOC(=O)Cl
• IUPAC Name: dodecyl carbonochloridate
• InChIKey: AFPOMDNRTZLRMD-UHFFFAOYSA-N
• INCHI: 1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCOC(=O)Cl
• Peso molecular: 248.79
• Beilstein: 4(3)28
• Reaxy-Rn: 1774130
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774130&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.44
• Punto de ebullición (°C): 168 °C/20 mmHg
• Peso molecular: 248.790 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 248.154 Da
• Monoisotopic Mass: 248.154 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 160.000
• 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