Dichloronitromethane

Base Information

• Chemical Name: Dichloronitromethane
• CAS No.: 7119-89-3
• Molecular Formula: CH Cl2 N O2
• Molecular Weight: 129.93
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID30221387
• Nikkaji Number: J81.330C
• Wikidata: Q83099133
• Mol file: 7119-89-3.mol

Synonyms:dichloronitromethane

Chemical Property of Dichloronitromethane

Chemical Property:

• Vapor Pressure: 27.6mmHg at 25°C
• Boiling Point: 107°Cat760mmHg
• PKA: -0.76±0.50(Predicted)
• Flash Point: 23.2°C
• PSA: 45.82000
• Density: 1.604g/cm³
• LogP: 1.54750
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Chloroform
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.9384337
• Heavy Atom Count: 6
• Complexity: 57.1

Purity/Quality:

98%Min ^*data from raw suppliers

Dichloronitromethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dichloronitromethane

There total 3 articles about Dichloronitromethane 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:

chloropicrin (76-06-2) → dichloronitromethane (7119-89-3) + monochloronitromethane (1794-84-9)

Guidance literature:

With ferruginous smectite SWa; sodium chloride; In ethanol; for 2.83333h;

DOI:10.1021/es0015592

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) → dichloronitromethane (7119-89-3) + chloropicrin (76-06-2)

Guidance literature:

With sodium hypochlorite; In water;

DOI:10.1021/es980480i

Reference yield:

pyrrolidine (123-75-1) + 2,2-dichloro-2-nitro-1-phenylethanone → n-benzoylpyrrolidine (3389-54-6) + dichloronitromethane (7119-89-3)

Guidance literature:

In chloroform-d1; at 20 ℃;

DOI:10.1039/c5cc09753c

upstream raw materials:

diazomethane

chloropicrin

pyrrolidine

Refernces

• 1、 Ding, Ransheng,Wolf, Christian. "Catalytic insertion of aldehydes into dihalonitroacetophenones via sequential bond scission-aldol reaction-acyl transfer". supporting information. p. 3576 - 3579. Retrieved 2016/03/04.
• 2、 Cervini-Silva,Larson,Wu,Stucki. "Transformation of chlorinated aliphatic compounds by ferruginous smectite". . p. 805 - 809. Retrieved 2007/10/03.