1,1,2-Trichloropropene

Base Information

• Chemical Name: 1,1,2-Trichloropropene
• CAS No.: 21400-25-9
• Molecular Formula: C3H3 Cl3
• Molecular Weight: 145.416
• Hs Code.: 2903299090
• UNII: 5OK8WRI910
• DSSTox Substance ID: DTXSID8073425
• Nikkaji Number: J101.376I
• Wikidata: Q27262649
• Mol file: 21400-25-9.mol

Synonyms:1,1,2-TRICHLOROPROPENE;21400-25-9;Trichloropropene;1-Propene, 1,1,2-trichloro-;1,1,2-trichloroprop-1-ene;1-Propene, trichloro-;1,1,2-Trichloropropene-1;Propene, 1,1,2-trichloro-;Trichloro-1-propene;1,1,2-Trichloro-1-propene;5OK8WRI910;35175-85-0;1,1,2-trichloro-propene;UNII-5OK8WRI910;SCHEMBL186452;DTXSID8073425;1,1,2-Trichloro-1-propene #;AKOS006272338;LS-123551;FT-0694028;EN300-139513;Propene, 1,1,2-trichloro- (6CI,7CI,8CI);Q27262649;Z1198148250

Chemical Property of 1,1,2-Trichloropropene

Chemical Property:

• Vapor Pressure: 20.3mmHg at 25°C
• Melting Point: -30°C (estimate)
• Refractive Index: 1.4827
• Boiling Point: 118°Cat760mmHg
• Flash Point: 41.8°C
• PSA: 0.00000
• Density: 1.379g/cm³
• LogP: 2.89180
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 143.930033
• Heavy Atom Count: 6
• Complexity: 70.1

Purity/Quality:

99%min ^*data from raw suppliers

1,1,2-TRICHLOROPROPENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,2-Trichloropropene

There total 2 articles about 1,1,2-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:

1,1,1-trichloropropan-2-ol (76-00-6) → 2-chloropropionyl chloride (7623-09-8) + 1,1,2-trichloropropene (21400-25-9) + 1,1,1-trichloroisopropyl α-chloropropionate (78049-86-2)

Guidance literature:

With phosphorus pentoxide; Yield given. Yields of byproduct given; Heating;

Reference yield:

1,1,2,3,3-pentachloro-1-propene (1600-37-9) → 1,1,2-trichloropropene (21400-25-9) + 1,1,2,3-Tetrachloropropene (10436-39-2)

Guidance literature:

With triethylsilane; iron pentacarbonyl; at 140 ℃; for 3h;

DOI:10.1007/BF00948634

Reference yield: 35.0%

1,1,2-trichloropropene (21400-25-9) + thiophenol (108-98-5) → α-methyl-β,β-dichlorovinyl phenyl sulfide (3559-68-0)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 70 ℃; for 6h;

upstream raw materials:

1,1,2,3,3-pentachloro-1-propene

1,1,1-trichloropropan-2-ol

Downstream raw materials:

1,1,1,2-tetrachloropropane

hept-2-yne

β,β-dichloroisopropenyl p-chlorophenyl sulfide

1-Chloro-4-(2,3,3-trichloro-allylsulfanyl)-benzene

Refernces

• 1、 Shainyan, B. A.,Mirskova, A. N.. "NUCLEOPHILIC REACTIONS AT VINYL CENTER. V. SYNTHESIS OF α-METHYL-β,β-DICHLOROVINYL PHENYL SULFONE". . p. 86 - 88. Retrieved 2007/10/02.