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249467

Sigma-Aldrich

Propyl chloroformate

98%

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About This Item

Linear Formula:
ClCO2CH2CH2CH3
CAS Number:
109-61-5
Molecular Weight:
122.55
EC Number:
203-687-7
MDL number:
MFCD00000649
UNSPSC Code:
12352100
PubChem Substance ID:
24854996
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

Signal Word

Danger

Hazard Statements

H225,H302,H314,H331

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

71.6 °F

Flash Point(C)

22 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB4246V
MKBB4246
22001MS
01130TD
12830KF

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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
Jake P Violi et al.
Ecotoxicology and environmental safety, 172, 72-81 (2019-01-27)
Environmental exposure to the amino acid β-methylamino-L-alanine (BMAA) was linked to the high incidence of neurodegenerative disease first reported on the island of Guam in the 1940s and has more recently been implicated in an increased incidence of amyotrophic lateral
Nur Cebi et al.
Food chemistry, 248, 8-13 (2018-01-14)
An effective and simultaneous liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was used with the aim of quantifying monosodium glutamate (MSG) in foodstuffs, such as chips, taste cubes, sauces and soups. The results were linear (R
Laura Louise Scott et al.
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
Brendan J Main et al.
Harmful algae, 74, 10-18 (2018-05-05)
The emerging toxin β-methylamino-l-alanine (BMAA) has been linked to the development of a number of neurodegenerative diseases in humans including amyotrophic lateral sclerosis (ALS), Alzheimer's disease, and Parkinson's disease. BMAA has been found to be produced by a range of
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