1-Propene, 1-chloro-

Base Information

• Chemical Name: 1-Propene, 1-chloro-
• CAS No.: 590-21-6
• Molecular Formula: C3H5 Cl
• Molecular Weight: 76.5257
• Hs Code.: 2903290000
• European Community (EC) Number: 209-675-8
• UN Number: 1993
• DSSTox Substance ID: DTXSID5020318
• Wikidata: Q61702553
• Mol file: 590-21-6.mol

Synonyms:1-chloroprop-1-ene;1-Chloropropene;1-Propene, 1-chloro-;590-21-6;Chloropropene;(Z)-Chloro-1-propene;1-cloropropeno;1-cloropropileno;cloruro de propenilo;1-Cloro-1-propeno;Propeno, 1-cloro-;1-propeno, 1-cloro-;Propene 1-chloro-(8CI);C3-H5-Cl;1-Chloropropylene [1-Propene, 1-chloro-];1-Propenyl Chloride;3-chloro-2-propene;4-01-00-00737 (Beilstein Handbook Reference);DTXSID5020318;FT-0693150;FT-0694901;D89227

Chemical Property of 1-Propene, 1-chloro-

Chemical Property:

• Vapor Pressure: 3.01mmHg at 25°C
• Melting Point: -137.3°C
• Refractive Index: 1.4020-1.4060
• Boiling Point: 37.4°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.921g/cm³
• LogP: 1.75880
• Water Solubility.: Insoluble in water
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 76.0079779
• Heavy Atom Count: 4
• Complexity: 22.5
• Transport DOT Label: Combustible Liquid

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1E)-1-Chloroprop-1-ene ^*data from reagent suppliers

Safty Information:

• Statements: 12-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated
• Canonical SMILES: CC=CCl

Technology Process of 1-Propene, 1-chloro-

There total 30 articles about 1-Propene, 1-chloro- 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: 83.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + (z)-tert-butyl 5-(prop-1-enyl)-1H-indole-1-carboxylate → (Z)-tert-butyl 5-(2-chlorovinyl)-1H-indole-1-carboxylate + propenyl chloride (590-21-6)

Guidance literature:

With C₅₈H₇₉ClMoN₂O; In benzene; at 22 ℃; for 4h; stereoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1038/nature21043

Reference yield: 83.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + (Z)-1-phenyl-4-methyl-1,3-butadiene (1608-27-1,3909-96-4,39491-55-9,39491-56-0,66597-12-4,66597-13-5,7642-05-9) → propenyl chloride (590-21-6) + [(1E,3Z)-4-chlorobuta-1,3-dien-1-yl]benzene

Guidance literature:

With C₅₈H₇₉ClMoN₂O; In benzene; at 22 ℃; for 4h; stereoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1038/nature21043

upstream raw materials:

1,2-Dichloropropane

diacetyl peroxide

1,1-dichloropropane

1-chloro-1-nitropropane

Downstream raw materials:

methylphosphonic acid dichloroanhydride

1,2,2-trichloroethyl phosphorodichloridate

3-(N,N-diprop-2-enamino)-4-methoxyacetanilide

prop-1-yne

Refernces

• 1、 -. "2, 3, 3, 3-tetrafluoropropene method for the synthesis of". Paragraph 0009; 0020; 0021. . Retrieved 2018/01/19.
• 2、 Aitken, R. Alan,Hodgson, Philip K.G.,Morrison, John J.,Oyewale, Adebayo O.. "Flash vacuum pyrolysis over magnesium. Part 1 - Pyrolysis of benzylic, other aryl/alkyl and aliphatic halides". . p. 402 - 415. Retrieved 2007/10/03.