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

CAS: 6092-54-2 Cat. No.: H139072 분자식: ClCO₂(CH₂)₅CH₃ 분자량: 164.63 Beilstein Registry Number: 3(3)27 EC 번호: 228-036-4

등급 & 순도 ≥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

개요

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

사양

동의어

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 Show more

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

508814418

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCCCCOC(=O)Cl

WGK 독일

3

UN 번호

3277

포장 그룹

II

분자량

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
    • 분류 Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture Sensitive
• 굴절률: 1.424
• 발화점(°F): 143.6 °F
• 발화점(°C): 62℃
• 끓는점(°C): 60-61 °C/7 mmHg
• 분자량: 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