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254355

Sigma-Aldrich

2-Chloropropene

98%

Synonym(s):

2-Chloro-1-propene, Isopropenyl chloride

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About This Item

Linear Formula:
CH3CCl=CH2
CAS Number:
557-98-2
Molecular Weight:
76.52
Beilstein/REAXYS Number:
1361376
EC Number:
209-187-5
MDL number:
MFCD00000859
UNSPSC Code:
12352100
PubChem Substance ID:
24855378
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.395 (lit.)

bp

22.5-22.8 °C (lit.)

mp

−138.6 °C (lit.)

density

0.899 g/mL at 25 °C (lit.)

functional group

alkyl halide

storage temp.

2-8°C

SMILES string

CC(Cl)=C

InChI

1S/C3H5Cl/c1-3(2)4/h1H2,2H3

InChI key

PNLQPWWBHXMFCA-UHFFFAOYSA-N

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General description

Kinetics of thermal decomposition of 2-chloropropene over 600-1400K temperature range has been investigated. High-quality mass-analyzed threshold ionization spectrum of 2-chloropropene has been reported.

Application

2-Chloropropene has been used in measurement of photoionization cross sections of allyl and 2-propenyl radicals to form C3H5+ by tunable vacuum ultraviolet synchrotron radiation coupled with photofragment translational spectroscopy.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

-4.0 °F - closed cup

flash_point_c

-20 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Determination of absolute photoionization cross sections for isomers of C3H5: allyl and 2-propenyl radicals.
Robinson JC, et al.
Chemical Physics Letters, 383(5), 601-605 (2004)
Yong Jin Bae et al.
The Journal of chemical physics, 123(4), 044306-044306 (2005-08-13)
A high-quality mass-analyzed threshold ionization (MATI) spectrum of 2-chloropropene, 2-C3H5Cl, is reported. Its ionization energy determined for the first time from the 0-0 band position was 9.5395+/-0.0006 eV. Almost all the peaks in the MATI spectrum could be vibrationally assigned
María E Tucceri et al.
The journal of physical chemistry. A, 117(40), 10218-10227 (2013-09-17)
A detailed theoretical study of the kinetics of the thermal decomposition of 2-chloropropene over the 600-1400 K temperature range has been done. The reaction takes place through the elimination of HCl with the concomitant formation of propyne or allene products.

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