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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:
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.)

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

Signal Word

Danger

Hazard Statements

H224,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, 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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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.
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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