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252778

Sigma-Aldrich

Hexyl chloroformate

97%

Synonym(s):

Chloroformic acid n-hexyl ester, Hexyl carbonochloridate, Hexyl chlorocarbonate, Hexyloxycarbonyl chloride, n-Hexyl chloroformate

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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:
12352100
PubChem Substance ID:
24855236
NACRES:
NA.22

vapor pressure

0.06 psi ( 20 °C)

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.424 (lit.)

bp

60-61 °C/7 mmHg (lit.)

density

1.007 g/mL at 25 °C (lit.)

functional group

chloro

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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Application

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

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK8954
MKCK0545
SHBK0073
SHBH8120
SHBG4515V

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B J Hall et al.
Journal of forensic sciences, 44(3), 527-534 (1999-07-17)
A derivatization/solid phase microextraction (SPME) method for the determination of benzoylecgonine in urine was developed. The derivatization is conducted directly in 1 mL of urine while sonicating for 3 min with 12 microL of hexyl chloroformate and 70 microL of
Tomáš Hložek et al.
Journal of analytical toxicology, 40(9), 749-753 (2016-09-04)
A simple, sensitive and robust method for simultaneous determination of antiepileptic drugs (gabapentin, pregabalin and vigabatrin) in human serum using GC-MS was developed and validated for clinical toxicology purposes. This method employs an emerging class of derivatization agents - alkyl
F Bianchi et al.
Analytica chimica acta, 707(1-2), 197-203 (2011-10-27)
A fully automated, non invasive, rapid and high-throughput method for the direct determination of sarcosine and N-ethylglycine in urine and urinary sediments using hexyl chloroformate derivatization followed by direct immersion solid-phase micro extraction and fast gas chromatography-mass spectrometric analysis was

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