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67389

Supelco

Hexyl chloroformate

for GC derivatization, LiChropur™, ≥97.0% (GC)

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About This Item

Linear Formula:
ClCO2(CH2)5CH3
CAS Number:
6092-54-2
Molecular Weight:
164.63
EC Number:
228-036-4
MDL number:
MFCD00000651
UNSPSC Code:
12000000
PubChem Substance ID:
329760569
NACRES:
NA.22

grade

for 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

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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).

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301 + H311 + H331,H314

Hazard Classifications

Acute Tox. 3 Oral - Skin Corr. 1B

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

143.6 °F - closed cup

Flash Point(C)

62 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ3738
BCCH7548
BCCH2847
BCCH2908
BCCC7428

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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'
Determination of trace amounts of highly hydrophilic compounds in water by direct derivatization and gas chromatography?mass spectrometry
Minero C, et al.
Fresenius Journal of Analytical Chemistry, 350(6), 403-409 (1994)
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)
Chloroformates in gas chromatography as general purpose derivatizing agents
Husek P
Journal of Chromatography. B, Biomedical Sciences and Applications, 717(1-2), 57-91 (1998)
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