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Merck

249467

Sigma-Aldrich

Propyl chloroformate

98%

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About This Item

Fórmula lineal:
ClCO2CH2CH2CH3
Número de CAS:
Peso molecular:
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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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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