Chloroformate d'hexyle - ≥98%(GC) , CAS No.6092-54-2

CAS: 6092-54-2 Cat. No.: H139072 Formule: ClCO₂(CH₂)₅CH₃ Poids moléculaire: 164.63 Beilstein Registry Number: 3(3)27 Numéro CE: 228-036-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

Hexyl chloridocarbonate|Hexyl chloridocarbonate #|HEXYL ALCOHOL, CHLOROFORMATE|N-HEXYL CHLOROFORMATE|hexyloxycarbonyl chloride|N-HEXYL CHLOROFORMATE [HSDB]|Chlorocarbonic acid hexyl ester|Hexyl chlorocarbonate|Carbonochloridic acid, hexyl ester|Formic acid, chloro-, hexyl ester|hexylcarbonochloridate|Hexyl carbonochloridoate|Chloro-formicacihexylester|Chloroformic Acid Hexyl Ester|Hexyl chloroformate|Dimethylhexadecanedioate|Chloroformic acid N-hexyl ester|hexyl carbonochloridate|Carbonochloridic acid hexyl ester|chloro(hexyloxy)methanone

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

Le chloroformate d'hexyle a été utilisé comme réactif de dérivatisation pour : la détermination de la sarcosine et de la N-éthylglycine dans l'urine et les sédiments urinaires par micro extraction en phase solide et analyse rapide par GC-MS la détermination de la benzoylecgonine dans l'urine par spectrométrie de masse avec piège à ions GC-quadrupole

Spécifications

Synonymes

Hexyl chloridocarbonate | Hexyl chloridocarbonate # | HEXYL ALCOHOL, CHLOROFORMATE | N-HEXYL CHLOROFORMATE | hexyloxycarbonyl chloride | N-HEXYL CHLOROFORMATE [HSDB] | Chlorocarbonic acid hexyl ester | Hexyl chlorocarbonate | Carbonochloridic acid, hexyl ester | Formic acid, chloro-, hexyl ester | hexylcarbonochloridate | Hexyl carbonochl Afficher plus

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

508814418

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814418

Sourires canoniques

CCCCCCOC(=O)Cl

IUPAC Name

hexyl carbonochloridate

InChIKey

KIWBRXCOTCXSSZ-UHFFFAOYSA-N

INCHI

1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3

Isomères SMILES

CCCCCCOC(=O)Cl

WGK Allemagne

3

Numéro ONU

3277

Groupe d'emballage

II

Poids moléculaire

164.63

Beilstein

3(3)27

Reaxy-Rn

1752088

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752088&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: 1.424
• Point d'éclair (°F): 143.6 °F
• Point d'éclair (°C): 62℃
• Point d'ébullition (°C): 60-61 °C/7 mmHg
• Poids moléculaire: 164.630 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 164.06 Da
• Monoisotopic Mass: 164.06 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.600
• 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