254355
2-Chloropropene
98%
Synonym(s):
2-Chloro-1-propene, Isopropenyl chloride
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About This Item
Linear Formula:
CH3CCl=CH2
CAS Number:
Molecular Weight:
76.52
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-187-5
Beilstein/REAXYS Number:
1361376
MDL number:
Assay:
98%
Form:
liquid
InChI key
PNLQPWWBHXMFCA-UHFFFAOYSA-N
InChI
1S/C3H5Cl/c1-3(2)4/h1H2,2H3
SMILES string
CC(Cl)=C
assay
98%
form
liquid
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
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-4.0 °F - closed cup
flash_point_c
-20 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
Regulatory Information
危险化学品
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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.
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
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