1,2,3-Trichloropropene

Base Information

• Chemical Name: 1,2,3-Trichloropropene
• CAS No.: 13116-57-9
• Molecular Formula: C₃H₃Cl₃
• Molecular Weight: 145.416
• European Community (EC) Number: 202-487-7
• NSC Number: 164001
• UN Number: 2810
• UNII: IK4V4M8E7K
• DSSTox Substance ID: DTXSID70880876
• Nikkaji Number: J51.038F,J636J
• Wikidata: Q27280763
• Mol file: 13116-57-9.mol

Synonyms:1,2,3-trichloropropene

Chemical Property of 1,2,3-Trichloropropene

Chemical Property:

• Boiling Point: 142°Cat760mmHg
• Flash Point: 65.5°C
• PSA: 0.00000
• Density: 1.376g/cm³
• LogP: 2.54420
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 143.930033
• Heavy Atom Count: 6
• Complexity: 57.1
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Unsaturated
• Canonical SMILES: C(C(=CCl)Cl)Cl
• Isomeric SMILES: C(/C(=C/Cl)/Cl)Cl

Technology Process of 1,2,3-Trichloropropene

There total 7 articles about 1,2,3-Trichloropropene 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: 38.0%

2,3-dichloro-2-propene-l-ol (2736-73-4,36712-42-2,36712-41-1) → (1Z)-1,2,3-trichloroprop-1-ene (96-19-5,13116-58-0,13116-57-9)

Guidance literature:

With pyridine; sulfuryl dichloride; In dichloromethane; at 0 - 20 ℃; for 2.33333h; Inert atmosphere;

DOI:10.1139/v2012-041

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:

2,3-Dichloroprop-1-ene (78-88-6) → 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)

Guidance literature:

With chlorine; at 507 ℃;

DOI:10.1021/ja01102a037

upstream raw materials:

2,3-Dichloroprop-1-ene

2,3-dichloro-2-propene-l-ol

1,2,2,3-tetrachloropropane

chlorine

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