1,1,3-Trichloropropene

Base Information

• Chemical Name: 1,1,3-Trichloropropene
• CAS No.: 2567-14-8
• Molecular Formula: C3H3 Cl3
• Molecular Weight: 145.416
• Hs Code.: 2903290000
• European Community (EC) Number: 219-903-8
• UNII: D17VR5IUWK
• DSSTox Substance ID: DTXSID0073958
• Nikkaji Number: J101.377G
• Wikipedia: 1,1,3-Trichloropropene
• Wikidata: Q4545642
• ChEMBL ID: CHEMBL160390
• Mol file: 2567-14-8.mol

Synonyms:1,1,3-TRICHLOROPROPENE;2567-14-8;1,1,3-trichloroprop-1-ene;1,1,3-Trichloro-1-propene;3,3-Dichloroallyl chloride;1-Propene,1,1,3-trichloro-;1-Propene, 1,1,3-trichloro-;Propene, 1,1,3-trichloro-;1,1,3-Trichloro-propene;BRN 1738076;EINECS 219-903-8;UNII-D17VR5IUWK;D17VR5IUWK;1,3,3-Trichloro-2-propene;4-01-00-00748 (Beilstein Handbook Reference);5-(Benzoylamino)valericAcid;SCHEMBL428599;1,1, 3-trichloro-1-propene;CHEMBL160390;DTXSID0073958;1,1,3-tris(chloranyl)prop-1-ene;CAA56714;TRICHLOROPROPENE, 1,1,3-;MFCD00013259;AKOS006228062;AS-76040;LS-123546;FT-0653117;T3819;D86339;EN300-175669;A817967;Q4545642

Chemical Property of 1,1,3-Trichloropropene

Chemical Property:

• Vapor Pressure: 11.3mmHg at 25°C
• Melting Point: -30°C (estimate)
• Refractive Index: 1.4895 (estimate)
• Boiling Point: 131.5°C at 760 mmHg
• Flash Point: 48.9°C
• PSA: 0.00000
• Density: 1.376g/cm³
• LogP: 2.54420
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 143.930033
• Heavy Atom Count: 6
• Complexity: 53.1

Purity/Quality:

98%Min ^*data from raw suppliers

1,1,3-Trichloro-1-propene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=C(Cl)Cl)Cl

Technology Process of 1,1,3-Trichloropropene

There total 30 articles about 1,1,3-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: 95.0%

1,1,1,3-tetrachloropropane (1070-78-6) → 3,3-dichloroallyl chloride (2567-14-8)

Guidance literature:

With iron(II) chloride tetrahydrate; at 90 - 100 ℃;

Reference yield: 82.9%

1,1,1,3-tetrachloropropane (1070-78-6) → 1,1,1,2,3-pentachloro-propane (21700-31-2) + 3,3-dichloroallyl chloride (2567-14-8) + 1,1,2,3-Tetrachloropropene (10436-39-2)

Guidance literature:

With iron(III) chloride; chlorine; at 82 ℃; for 15.33h; under 1277.21 Torr; Product distribution / selectivity;

Reference yield: 45.0%

bis(1-trichloromethyl-2-chloroethyl)disulfide (98142-55-3) → 3,3-dichloroallyl chloride (2567-14-8)

Guidance literature:

With hexaethylphosphorous triamide; 1) -30 deg C, 2) 20 deg C, 15 min;

DOI:10.1007/BF00953711

upstream raw materials:

1,1-dichloropropene

1,1,1,3-tetrachloropropane

1,1,2,3-tetrachloropropane

3,3-dichloro-2-propen-1-ol

Downstream raw materials:

1,4-bis-(3,3-dichloro-allyl)-benzene

(4-chloro-phenyl)-(3,3-dichloro-allyl)-ether

3,5-dinitro-benzoic acid-(3,3-dichloro-allyl ester)

2,3-dichloropropanoic acid

Refernces

• 1、 Ritter,J.J. et al.. "-". . p. 25 - 31. Retrieved 1972.
• 2、 -. "PROCESSES FOR PREPARING PENTACHLOROPROPANE AND TETRACHLOROPROPENE FROM DICHLOROPROPENE". Paragraph 0090. . Retrieved 2022/04/03.
• 3、 -. "Method for eliminating hydrogen chloride by catalytic cracking of chloralkane". Paragraph 0118-0123. . Retrieved 2020/08/06.