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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

252778-5G:
252778-VAR:
252778-BULK:
252778-25G:

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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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