Tris(1-chloro-2-propyl) phosphate

Base Information

• Chemical Name: Tris(1-chloro-2-propyl) phosphate
• CAS No.: 13674-84-5
• Deprecated CAS: 16839-32-0,98112-32-4
• Molecular Formula: C9H18Cl3O4P
• Molecular Weight: 327.572
• Hs Code.: 2919900090
• European Community (EC) Number: 237-158-7
• UNII: CRT22GFY70
• DSSTox Substance ID: DTXSID5026259
• Nikkaji Number: J50.405J
• Wikidata: Q2454095
• ChEMBL ID: CHEMBL3188873
• Mol file: 13674-84-5.mol

Synonyms:TCIPP compound;TCPP phosphate cpd;tri-(2-chloroisopropyl)phosphate;tris(1-chloro-2-propyl)phosphate;tris(2-chloro-1-methylethyl)phosphate

Chemical Property of Tris(1-chloro-2-propyl) phosphate

Chemical Property:

• Appearance/Colour: Clear colorless viscous liquid
• Vapor Pressure: 5.25E-05mmHg at 25°C
• Melting Point: -39.9°C
• Refractive Index: 1.462
• Boiling Point: 358.5 ºC at 760 mmHg
• Flash Point: 249.7 ºC
• PSA: 54.57000
• Density: 1.281 g/cm³
• LogP: 4.02620
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: <0.1 g/100 mL at 19.5℃
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 326.000829
• Heavy Atom Count: 17
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Tris(1-chloro-2-propyl)Phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
• Uses: Tris(1-chloro-2-propyl) Phosphate is a flame retardant of low hydrolytic stability, used in polyurethane (PU) rigid and flexible foam, PVC, EVA and phenolics and epoxy resin. Tris(1-chloro-2-propyl) Phosphate is a flame retardant of low hydrolytic stability, used in polyurethane (PU) rigid and flexible foam, PVC, EVA, phenolics and epoxy resin.

Technology Process of Tris(1-chloro-2-propyl) phosphate

There total 4 articles about Tris(1-chloro-2-propyl) phosphate 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: 98.1%

methyloxirane (75-56-9,16033-71-9) → tris-(2-chloro, 1-methylethyl)-phosphate (13674-84-5)

Guidance literature:

With aluminum (III) chloride; calcium oxide; trichlorophosphate; at 20 - 65 ℃; Large scale;

Reference yield:

methyloxirane (75-56-9,16033-71-9) → Tris(2-chloropropyl) phosphate (6145-73-9) + 2-methyl-2-pentenal (14250-96-5,16958-22-8,623-36-9) + tris-(2-chloro, 1-methylethyl)-phosphate (13674-84-5) + bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate (76025-08-6) + 2-chloro-1-methylethyl bis(2-chloropropyl)phosphate (76649-15-5)

Guidance literature:

With trichlorophosphate; aluminum (III) chloride; at 40 - 65 ℃; for 6h; Product distribution / selectivity;

Reference yield:

methyloxirane (75-56-9,16033-71-9) → Tris(2-chloropropyl) phosphate (6145-73-9) + tris-(2-chloro, 1-methylethyl)-phosphate (13674-84-5) + bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate (76025-08-6) + 2-chloro-1-methylethyl bis(2-chloropropyl)phosphate (76649-15-5)

Guidance literature:

With trichlorophosphate; aluminum (III) chloride; at 50 - 95 ℃; for 6h; Product distribution / selectivity;

upstream raw materials:

methyloxirane

Downstream raw materials:

LACTIC ACID

propylene glycol

1-hydroxypropan-2-yl dihydrogenphosphate

diisopropylphosphate

Refernces

• 1、 -. "Preparation of phosphorus-containing propoxylation products by using aluminium trichloride". Page/Page column 3-4. . Retrieved 2008/12/07.