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Key Documents

249467

Sigma-Aldrich

Propyl chloroformate

98%

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About This Item

Linear Formula:
ClCO2CH2CH2CH3
CAS Number:
Molecular Weight:
122.55
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

0.87 psi ( 20 °C)

assay

98%

form

liquid

refractive index

n20/D 1.404 (lit.)

bp

105-106 °C (lit.)

solubility

benzene: miscible(lit.)
chloroform: miscible(lit.)
diethyl ether: miscible(lit.)

density

1.09 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCCOC(Cl)=O

InChI

1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3

InChI key

QQKDTTWZXHEGAQ-UHFFFAOYSA-N

Application

Propyl chloroformate has been used:
  • as derivatization reagent in quantification of dopamine, serotonin and norepinephrine in human urine by solid phase microextraction-gas chromatography-triple quadrupole mass spectrometry
  • in the preparation of dipropyl 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2-dicarboxylate

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

71.6 °F

flash_point_c

22 °C

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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Guo-Wu Rao et al.
Acta crystallographica. Section C, Crystal structure communications, 59(Pt 5), o281-o282 (2003-05-14)
The title compound, C(22)H(24)N(4)O(4), was prepared from propyl chloroformate and 3,6-diphenyl-1,2-dihydro-s-tetrazine. This reaction yields the title compound rather than dipropyl 3,6-diphenyl-1,4-dihydro-s-tetrazine-1,4-dicarboxylate. The 2,3-diazabutadiene group in the central six-membered ring is not planar; the C=N double-bond length is 1.285 (2) A
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Neurotoxicity research, 33(1), 6-14 (2017-05-05)
Chronic inhalation of aerosolized β-N-methylamino-L-alanine (BMAA) could serve as potenital route for exposure to this cyanobacterial neurotoxin implicated in the development of neurodegenerative disease. We investigated environmental aerosol BMAA loads and the fate of inhaled isotopically labeled aerosolized BMAA in

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