67389

Hexyl chloroformate

derivatization grade (GC derivatization), LiChropur^™, ≥97.0% (GC)

• Linear Formula: ClCO₂(CH₂)₅CH₃
• CAS Number: 6092-54-2
• Molecular Weight: 164.63
• EC Number: 228-036-4
• MDL number: MFCD00000651
• UNSPSC Code: 12352200
• PubChem Substance ID: 329760569
• NACRES: NA.22

Properties

• grade: derivatization grade (GC derivatization)
• Quality Level: 100
• vapor pressure: 0.06 psi ( 20 °C)
• assay: ≥97.0% (GC)
• quality: LiChropur^™
• reaction suitability: reagent type: derivatization reagent; reaction type: Acylations
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.424 (lit.)
• bp: 60-61 °C/7 mmHg (lit.)
• density: 1.007 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: CCCCCCOC(Cl)=O
• InChI: 1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
• InChI key: KIWBRXCOTCXSSZ-UHFFFAOYSA-N

Description

General description

Hexyl chloroformate belongs to the class of chloroformates.[1] It is widely used in the derivatization of highly hydrophilic compounds to hexyl esters, carbonates and carbamates.[2]

Application

Hexyl chloroformate may be used as a derivatizing reagent for the quantification of antiepileptic drugs,[3] cathinones, amphetamine-like stimulants and other new psychoactive substances[4] in biological samples using gas chromatography coupled to mass spectrometry (GC-MS).

Recommended products

Discover LiChropur^™ reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS06,GHS05
• signalword: Danger
• hcodes: H301 + H311 + H331,H314
• pcodes: P261 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Skin Corr. 1B
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 143.6 °F - closed cup
• flash_point_c: 62 °C - closed cup