Amyl Chloroformate - ≥97%(GC) , CAS No.638-41-5

CAS: 638-41-5 Cat. No.: A139129 Summenformel: C₆H₁₁ClO₂ Molekulargewicht: 150.6 EG-Nummer: 211-336-4

QUALITÄT & REINHEIT ≥97%(GC)

Synonyms

NSC7913 | NSC-7913 | DTXSID0060933 | D89273 | pentyl carbonochloridoate | Amyl chloroformate | pentyl carbonochloridate | SR-01000944789 | MFCD00058933 | EINECS 211-336-4 | Chloroformic Acid Pentyl Ester | Formic acid, chloro-, pentyl ester | UF9VZ2UV69 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

application：

n-Pentyl Chloroformate is a chemical reagent used in the synthesis of intermediates for Capecitabine (C175650), an antineoplastic agent. As well as used for the synthesis of other pharmaceuticals such as dabigatran etexilate (D100150), a direct thrombin inhibitor.

Spezifikationen

Synonyme

NSC7913 | NSC-7913 | DTXSID0060933 | D89273 | pentyl carbonochloridoate | Amyl chloroformate | pentyl carbonochloridate | SR-01000944789 | MFCD00058933 | EINECS 211-336-4 | Chloroformic Acid Pentyl Ester | Formic acid, chloro-, pentyl ester | UF9VZ2UV69 |

Spezifikationen & Reinheit

≥97%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

508814417

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814417

Kanonisches Lächeln

CCCCCOC(=O)Cl

IUPAC Name

pentyl carbonochloridate

InChIKey

XHRRYUDVWPPWIP-UHFFFAOYSA-N

INCHI

1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3

Isomere SMILES

CCCCCOC(=O)Cl

Molekulargewicht

150.6

Reaxy-Rn

1749482

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749482&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat & Moisture sensitive
• Brechungsindex: 1.42
• Flammpunkt (°C): 48 °C
• Siedepunkt (°C): 161°C
• Molekulargewicht: 150.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.045 Da
• Monoisotopic Mass: 150.045 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• 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