Hexyl chloroformate - ≥98%(GC) , CAS No.6092-54-2

CAS: 6092-54-2 Cat. No.: H139072 分子式: ClCO₂(CH₂)₅CH₃ 分子量: 164.63 Beilstein Registry Number: 3(3)27 EC番号: 228-036-4

グレード＆純度 ≥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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Hexyl chloroformate has been used as derivatization reagent in: determination of sarcosine and N-ethylglycine in urine and urinary sediments by solid-phase micro extraction and fast GC-MS analysis determination of benzoylecgonine in urine by GC-quadrupole ion trap mass spectrometry

仕様

同義語

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 もっと見る

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

508814418

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCCCOC(=O)Cl

WGKドイツ

3

UN番号

3277

包装グループ

II

分子量

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
    • 分類 Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture Sensitive
• 屈折率: 1.424
• 引火点（°F）: 143.6 °F
• 引火点（°C）: 62℃
• 沸点（°C）: 60-61 °C/7 mmHg
• 分子量: 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