1,3-Dichloro-2-(chloromethyl)-2-nitropropane

Base Information

• Chemical Name: 1,3-Dichloro-2-(chloromethyl)-2-nitropropane
• CAS No.: 79437-10-8
• Molecular Formula: C4H6 Cl3 N O2
• Molecular Weight: 206.456
• NSC Number: 94796
• DSSTox Substance ID: DTXSID50294154
• Wikidata: Q82033269

Synonyms:79437-10-8;NSC94796;1,3-dichloro-2-(chloromethyl)-2-nitropropane;Propane, 1,3-dichloro-2-(chloromethyl)-2-nitro-;DTXSID50294154;NSC-94796;TRIS(CHLOROMETHYL)NITROMETHANE;AKOS000538840

Chemical Property of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane

Chemical Property:

• Vapor Pressure: 0.0027mmHg at 25°C
• Boiling Point: 286.1°C at 760 mmHg
• Flash Point: 126.8°C
• Density: 1.458g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.946412
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(CCl)(CCl)[N+](=O)[O-])Cl

Technology Process of 1,3-Dichloro-2-(chloromethyl)-2-nitropropane

There total 5 articles about 1,3-Dichloro-2-(chloromethyl)-2-nitropropane 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: 75.6%

5-nitro-5-chloromethyl-2-thia-1,3-dioxane 2-oxide (79437-09-5) → 1-chloro-2,2-di(chloromethyl)-2-nitroethane (79437-10-8)

Guidance literature:

With thionyl chloride; In pyridine;

Reference yield: 53.0%

2-hydroxymethyl-2-nitro-propane-1,3-diol (126-11-4) → 1-chloro-2,2-di(chloromethyl)-2-nitroethane (79437-10-8)

Guidance literature:

DOI:10.1016/j.tet.2007.03.076

Reference yield:

2-hydroxymethyl-2-nitro-propane-1,3-diol (126-11-4) → 1-chloro-2,2-di(chloromethyl)-2-nitroethane (79437-10-8) + 5-nitro-5-chloromethyl-2-thia-1,3-dioxane 2-oxide (79437-09-5)

Guidance literature:

With pyridine; thionyl chloride; at 40 - 50 ℃; dann bei 95-100grad;

DOI:10.1039/jr9480001907

upstream raw materials:

2-hydroxymethyl-2-nitro-propane-1,3-diol

5-nitro-5-chloromethyl-2-thia-1,3-dioxane 2-oxide

pyridine

Downstream raw materials:

2-chloromethyl-3-chloroprop-1-ene

1,3-dichloro-2-chloromethyl-1-propene

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