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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
chloro

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[1]. High-quality mass-analyzed threshold ionization spectrum of 2-chloropropene has been reported[2].

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[3].

pictograms

FlameExclamation mark
GHS02,GHS07

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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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC2602
BCBZ3697
BCBR9124V
BCBP4051V
BCBN9938V

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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.
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
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)

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