Chloronitromethane

Base Information

• Chemical Name: Chloronitromethane
• CAS No.: 1794-84-9
• Molecular Formula: CH2 Cl N O2
• Molecular Weight: 95.4854
• Hs Code.: 2904909090
• European Community (EC) Number: 217-265-5
• DSSTox Substance ID: DTXSID30170801
• Nikkaji Number: J203.191D
• Wikidata: Q83040816
• Mol file: 1794-84-9.mol

Synonyms:chloronitromethane

Chemical Property of Chloronitromethane

Chemical Property:

• Vapor Pressure: 13.9mmHg at 25°C
• Refractive Index: 1.4210 (estimate)
• Boiling Point: 122.5°Cat760mmHg
• PKA: 7.30±0.29(Predicted)
• Flash Point: 24.7°C
• PSA: 45.82000
• Density: 1.379g/cm³
• LogP: 0.98260
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.9774060
• Heavy Atom Count: 5
• Complexity: 39.4

Purity/Quality:

98%Min ^*data from raw suppliers

Chloronitromethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C([N+](=O)[O-])Cl
• Uses: A nitrogenous disinfection byproducts (N-DBPs) found in drinking water. Mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells.

Technology Process of Chloronitromethane

There total 15 articles about Chloronitromethane 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: 61.0%

2-nitro-3,3-difluoro-2,3-dichloropropionyl chloride (663-08-1) → monochloronitromethane (1794-84-9)

Guidance literature:

With H₂O; at 45-50°C 4 h, then standing overnight;

Reference yield: 21.0%

ethyl chloronitroacetate (14011-27-9) → monochloronitromethane (1794-84-9)

Guidance literature:

With hydrogenchloride; for 4.5h; Heating;

DOI:10.1007/BF00954250

Reference yield: 10.0%

nitromethane (75-52-5) → monochloronitromethane (1794-84-9)

Guidance literature:

DOI:10.1039/P29880000725

upstream raw materials:

diazomethane

diazoacetic acid ethyl ester

nitromethane

methane

Downstream raw materials:

(chloro-nitro-methylene)-phenyl-hydrazine

3-chloro-N-(4-methyl-2-nitro-phenyl)-N'''-p-tolyl-formazan

phenylsulfonylnitromethane

dibromochloronitromethane

Refernces

• 1、 Martynov, I. V.,Bikkineev, R. Kh.,Uvarov, V. I.. "SYNTHESIS OF CHLORO- AND DICHLORONITROMETHANES". . p. 858 - 859. Retrieved 1986.
• 2、 Plewa, Michael J.,Wagner, Elizabeth D.,Jazwierska, Paulina,Richardson, Susan D.,Chen, Paul H.,McKague, A. Bruce. "Halonitromethane Drinking Water Disinfection Byproducts: Chemical Characterization and Mammalian Cell Cytotoxicity and Genotoxicity". . p. 62 - 68. Retrieved 2007/10/03.
• 3、 -. "Method of preparing amino alcohols". . . Retrieved 2008/06/13.