67389
Hexyl chloroformate
derivatization grade (GC derivatization), LiChropur™, ≥97.0% (GC)
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About This Item
Linear Formula:
ClCO2(CH2)5CH3
CAS Number:
Molecular Weight:
164.63
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
228-036-4
MDL number:
Assay:
≥97.0% (GC)
grade
derivatization grade (GC derivatization)
Quality Level
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
General description
Hexyl chloroformate belongs to the class of chloroformates. It is widely used in the derivatization of highly hydrophilic compounds to hexyl esters, carbonates and carbamates.
Application
Hexyl chloroformate may be used as a derivatizing reagent for the quantification of antiepileptic drugs, cathinones, amphetamine-like stimulants and other new psychoactive substances in biological samples using gas chromatography coupled to mass spectrometry (GC-MS).
Legal Information
LiChropur is a trademark of Merck KGaA, Darmstadt, Germany
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Skin Corr. 1B
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
flash_point_f
143.6 °F - closed cup
flash_point_c
62 °C - closed cup
Regulatory Information
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Gabapentin, Pregabalin and Vigabatrin quantification in human serum by GC--MS after hexyl chloroformate derivatization
Hlozek T, et al.
Journal of Analytical Toxicology, 40(9), 749-753 (2016)
Stacy D Brown et al.
Forensic science international, 171(2-3), 142-150 (2006-12-13)
A solid-phase microextraction-gas chromatographic-mass spectrometric (SPME-GC-MS) method has been developed and validated for measuring four club drugs in human urine. These drugs include gamma-hydroxybutyrate (GHB), ketamine (KET), methamphetamine (MAMP), and methylenedioxymethamphetamine (MDMA). These drugs are referred to as 'club drugs'
Rapid and simple procedure for the determination of cathinones, amphetamine-like stimulants and other new psychoactive substances in blood and urine by GC--MS
Mercieca G, et al.
Journal of Pharmaceutical and Biomedical Analysis, 149, 494-501 (2018)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 67389-10ML | 04061837811197 |
| 67389-1ML-KC | 04061837811210 |
| 67389-10X1ML | 04061837811203 |