(E)-1,3-Dichloro-1 -propene

Base Information

• Chemical Name: (E)-1,3-Dichloro-1 -propene
• CAS No.: 10061-02-6
• Deprecated CAS: 68525-58-6,8022-76-2
• Molecular Formula: C3H4Cl2
• Molecular Weight: 110.971
• European Community (EC) Number: 431-460-4,626-466-0
• UN Number: 2047
• UNII: 21UG87ODPI
• DSSTox Substance ID: DTXSID2042480
• Nikkaji Number: J4.434B,J3.292A
• Wikidata: Q161507
• NCI Thesaurus Code: C44296
• Metabolomics Workbench ID: 42453
• ChEMBL ID: CHEMBL155926
• Mol file: 10061-02-6.mol

Synonyms:1-Propene,1,3-dichloro-, (E)-;Propene, 1,3-dichloro-, (E)- (8CI);(E)-1,3-Dichloro-1-propene;(E)-1,3-Dichloropropene;trans-1,3-Dichloro-1-propene;trans-1,3-Dichloropropylene;trans-3-Chloroallyl chloride;

Chemical Property of (E)-1,3-Dichloro-1 -propene

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -95oC
• Refractive Index: 1.4748
• Boiling Point: 108.4 °C at 760 mmHg
• Flash Point: 27.8 °C
• PSA: 0.00000
• Density: 1.175 g/cm³
• LogP: 1.97770
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 109.9690055
• Heavy Atom Count: 5
• Complexity: 31.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T, N,Xn,F
• Hazard Codes: Xn:Harmful
• Statements: R10:; R22:; R40:
• Safety Statements: S16:; S36/37:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fumigants
• Canonical SMILES: C(C=CCl)Cl
• Isomeric SMILES: C(/C=C/Cl)Cl

Technology Process of (E)-1,3-Dichloro-1 -propene

There total 9 articles about (E)-1,3-Dichloro-1 -propene 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: 43.7%

cis-1,3-Dichloropropene (10061-01-5) → (E)-1,3-dichloro-prop-1-ene (10061-02-6)

Guidance literature:

With bromine; In methanol; at 25 ℃; for 1h; Time; Solvent; Reagent/catalyst; Temperature; UV-irradiation;

Reference yield:

1,3-Dichloropropane (142-28-9) + 1-chloro-3-hydroxypropane (627-30-5) → glycidyl methyl ether (930-37-0) + 1,2-Epoxyhexane (1436-34-6) + 2,3-Dichloroprop-1-ene (78-88-6) + 2-chloroallyl alcohol (5976-47-6) + 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0,78-87-5) + cis-1,3-Dichloropropene (10061-01-5) + 1,2,3-trichloro-1-propene (13116-58-0) + (1Z)-1,2,3-trichloroprop-1-ene (96-19-5,13116-58-0,13116-57-9) + 1,3,3-trichloro-propene (2953-50-6) + 1t,3,3-trichloro-propene (2598-01-8) + chlorodibromomethane (124-48-1) + 1,1,2-trichloropropane (598-77-6) + 2,3-Dichloro-1-propanol (616-23-9) + 1,3-Dichloro-2-propanol (96-23-1) + 1,2,3-trichloropropane (96-18-4) + 3,3-dichloropropene (563-57-5) + 3,3-dichloroallyl chloride (2567-14-8) + acetaldehyde (75-07-0,9002-91-9) + allyl alcohol (107-18-6) + hydroxy-2-propanone (116-09-6) + chloroacetone (78-95-5) + cyclopentanone (120-92-3) + chlorobenzene (108-90-7) + isopropyl alcohol (67-63-0,8013-70-5) + 3-monochloro-1,2-propanediol (96-24-2) + acrolein (107-02-8,25068-14-8) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) + (E)-1,3-dichloro-prop-1-ene (10061-02-6)

Guidance literature:

With sodium hydroxide; water; at 45 - 62.4 ℃; under 112.511 - 750.075 Torr; Product distribution / selectivity;

Reference yield:

methanol (67-56-1) + 1,2,3-trichloropropane (96-18-4) → 2,3-Dichloroprop-1-ene (78-88-6) + 1,2-Dichlor-3-methoxy-propane (34680-34-7) + cis-1,3-Dichloropropene (10061-01-5) + 2-chloro-3-methoxypropene (32804-08-3) + cis-1-chloro-3-methoxypropene + (E)-1,3-dichloro-prop-1-ene (10061-02-6)

Guidance literature:

With aluminium; at 250 ℃; Product distribution; Mechanism; other temp.;

DOI:10.1246/bcsj.54.633

upstream raw materials:

3,3-dichloropropene

3-chloroprop-1-ene

methanol

1,2,3-trichloropropane

Downstream raw materials:

(E)-[(3-chloroprop-2-en-1-yl)sulfanyl]benzene

trans-1-Chloropropen

(E)-3-chloroallyl alcohol

bis-(3t-chloro-allyl)-ether

Refernces

• 1、 -. "Method for treating byproducts in process for preparing chloropropene by propylene chlorination". Paragraph 0067; 0071-0073; 0079-0083; 0087-0091; 0095-0099. . Retrieved 2020/11/10.
• 2、 Shinoda, Kiyonori,Yasuda, Kensei. "The Copyrolysis of 1,2,3-Trichloropropane and Methanol on Activated Alumina". . p. 633 - 634. Retrieved 2007/10/02.