Propane, octachloro-

Base Information

• Chemical Name: Propane, octachloro-
• CAS No.: 594-90-1
• Molecular Formula: C3Cl8
• Molecular Weight: 319.657
• NSC Number: 4118
• DSSTox Substance ID: DTXSID10208131
• Nikkaji Number: J473A
• Wikipedia: Octachloropropane
• Wikidata: Q83082225
• Mol file: 594-90-1.mol

Synonyms:Octachloropropane;Propane, octachloro-;594-90-1;1,1,1,2,2,3,3,3-Octachloropropane;AI3-27068;NSC4118;PERCHLOROPROPANE;C3Cl8;C3-Cl8;SCHEMBL760066;DTXSID10208131;QQAHAGNPDBPSJP-UHFFFAOYSA-N;NSC 4118;NSC-4118;MFCD00045237;1,1,1,2,2,3,3,3-Octachloropropane #

Chemical Property of Propane, octachloro-

Chemical Property:

• Vapor Pressure: 0.0143mmHg at 25°C
• Boiling Point: 266.4°Cat760mmHg
• Flash Point: 112.7°C
• PSA: 0.00000
• Density: 1.888g/cm³
• LogP: 4.90070
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 319.744921
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

OCTACHLOROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)(Cl)Cl

Technology Process of Propane, octachloro-

There total 4 articles about Propane, octachloro- 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:

tetrachlorocyclopropene (16782-92-6) + chlorine (7782-50-5) → 1,1,1,3,3,3-hexachloropropane (3607-78-1) + 1,1,1,2,2,3,3-heptachloropropane (594-89-8) + octachloropropane (594-90-1)

Guidance literature:

at 63 ℃; Irradiation;

DOI:10.1021/ja01208a026

Reference yield:

isobutyryl chloride (513-36-0) → tetrachloromethane (56-23-5) + octachloropropane (594-90-1)

Guidance literature:

With iodine trichloride; at 200 ℃;

DOI:10.1002/pen.10084

Reference yield:

tetrachloromethane (56-23-5) + pyrographite (7440-44-0) → 1,1,2,2-tetrachloroethylene (127-18-4) + octachloropropane (594-90-1)

Guidance literature:

In neat (no solvent); carbon atoms formed in a carbon arc, reaction at -196°C with CCl4; mechanism discussed;;

DOI:10.1021/ja00952a063

upstream raw materials:

isobutyryl chloride

Hexachlorobutadiene

chlorine

tetrachlorocyclopropene

Downstream raw materials:

niobium pentachloride

tantalum pentachloride

tin(IV) chloride

perchloropropene