2-Chloropropene

Base Information

• Chemical Name: 2-Chloropropene
• CAS No.: 557-98-2
• Molecular Formula: C3H5 Cl
• Molecular Weight: 76.5257
• Hs Code.: 2903290000
• European Community (EC) Number: 209-187-5
• UN Number: 2456
• UNII: 50TXN55E4A
• DSSTox Substance ID: DTXSID4040262
• Nikkaji Number: J2.665D
• Wikipedia: 2-Chloropropene
• Wikidata: Q2593139
• Mol file: 557-98-2.mol

Synonyms:2-Chloropropene;557-98-2;Isopropenyl chloride;2-chloroprop-1-ene;1-Propene, 2-chloro-;2-CHLORO-1-PROPENE;2-Chloropropylene;Propene, 2-chloro-;beta-Chloropropene;beta-Chloropropylene;.beta.-Chloropropene;.beta.-Chloropropylene;1-Methylvinyl chloride;HSDB 5694;EINECS 209-187-5;UN2456;BRN 1361376;UNII-50TXN55E4A;50TXN55E4A;2-cloropropeno;2-Chloro propylene;2-Chloropropene-1;2-cloro-1-propeno;Chloropropylene, 2-;Propeno, 2-cloro-;1-cloruro de metilvinil;1-propeno, 2-cloro-;2-Chloropropene, 98%;Propene 2-chloro-(8CI);DTXSID4040262;PNLQPWWBHXMFCA-UHFFFAOYSA-;2-CHLORO-1-PROPENE [HSDB];GEO-00792;MFCD00000859;NA2456;AKOS005254554;UN 2456;2-Chloropropylene [1-Propene, 2-chloro-];LS-123455;FT-0611691;2-Chloropropene [UN2456] [Flammable liquid];D89355;2-Chloropropene [UN2456] [Flammable liquid];Q2593139

Chemical Property of 2-Chloropropene

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 828mmHg at 25°C
• Melting Point: -138 °C
• Refractive Index: n20/D 1.395(lit.)
• Boiling Point: 23 °C
• Flash Point: °C
• PSA: 0.00000
• Density: 0.907g/cm³
• LogP: 1.75880
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 76.0079779
• Heavy Atom Count: 4
• Complexity: 30.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-1-propene >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by ingestion and inhalation. Flammable, dangerous fire risk.
• Hazard Codes: F+,Xi
• Statements: 12-36/37
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated
• Canonical SMILES: CC(=C)Cl
• Uses: 2-Chloropropene is 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.

Technology Process of 2-Chloropropene

There total 48 articles about 2-Chloropropene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.4%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 2-chloropropene (557-98-2) + 1,2-Dichloropropane (26198-63-0,78-87-5) + E/Z-1,3-Dichloropropene (542-75-6) + isopropyl chloride (75-29-6) + propenyl chloride (590-21-6) + 3-chloroprop-1-ene (107-05-1)

Guidance literature:

With aluminum oxide; copper dichloride; dibenzoyl peroxide; at 489.9 ℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide);

Reference yield: 73.0%

1-chloro-2,2-difluoro-1-methylcyclopropane → 2-chloropropene (557-98-2) + 3-chloro-3,3-difluoro-2-methylpropene (373-99-9)

Guidance literature:

at 420 ℃; for 0.5h; under 760.051 Torr; Inert atmosphere; Flow reactor; Gas phase; Pyrolysis;

DOI:10.1007/s11172-015-0914-6

Reference yield: 71.0%

acetone hydrazone (5281-20-9) + acetone (67-64-1) → 2-chloropropene (557-98-2)

Guidance literature:

acetone; With magnesium sulfate; hydrazine hydrate; at 20 ℃;

acetone hydrazone; With N-chloro-succinimide; In dichloromethane; at -10 - 0 ℃;

upstream raw materials:

1,2,2-trichloropropane

1,2-Dichloropropane

2,2-dichloropropane

acetone

Downstream raw materials:

formaldehyde-[bis-(3,3-dichloro-butyl)-acetal]

buta-1,3-diene

2,3-dimethyl-buta-1,3-diene

isoprene

Refernces

• 1、 Lou, Yixian,Qiu, Jian,Yang, Kai,Zhang, Feng,Wang, Chenglan,Song, Qiuling. "Ni-Catalyzed Reductive Allylation of α-Chloroboronates to Access Homoallylic Boronates". supporting information. p. 4564 - 4569. Retrieved 2021/06/28.
• 2、 -. "Method for synthetizing isopropenyl boric acid ester". Paragraph 0019. . Retrieved 2016/12/16.