Bromodichloronitromethane

Base Information

• Chemical Name: Bromodichloronitromethane
• CAS No.: 918-01-4
• Molecular Formula: CBrCl2NO2
• Molecular Weight: 208.826
• DSSTox Substance ID: DTXSID4021509
• Nikkaji Number: J1.769.638F
• Wikidata: Q81983778
• Mol file: 918-01-4.mol

Synonyms:Bromodichloronitromethane;918-01-4;Dichlorobromonitromethane;bromo-dichloro-nitromethane;Methane, bromodichloronitro-;CCRIS 9505;BDCNM;Bromo(dichloro)nitromethane;Bromo(dichloro)nitromethane #;DTXSID4021509;AKOS040758458;HY-133633;CS-0128459;FT-0663695

Chemical Property of Bromodichloronitromethane

Chemical Property:

• Vapor Pressure: 19mmHg at 25°C
• Boiling Point: 115.5°Cat760mmHg
• Flash Point: 23.7°C
• PSA: 45.82000
• Density: 2.225g/cm³
• LogP: 2.27010
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 206.84895
• Heavy Atom Count: 7
• Complexity: 88.2

Purity/Quality:

98%Min ^*data from raw suppliers

Bromodichloronitromethane ^*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)Br

Technology Process of Bromodichloronitromethane

There total 2 articles about Bromodichloronitromethane 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:

nitromethane (75-52-5) → dibromochloronitromethane (1184-89-0) + bromodichloronitromethane (918-01-4)

Guidance literature:

With bromine; chlorine;

DOI:10.1021/jo00863a039

Reference yield:

nitromethane (75-52-5) → bromodichloronitromethane (918-01-4)

Guidance literature:

With bromine; In sodium hydroxide;

DOI:10.1021/es030477l

Reference yield:

bromodichloronitromethane (918-01-4) + cyclohexene (110-83-8) → 1,2-dibromocyclohexane (5401-62-7) + trans-1-Brom-2-(dichlornitromethyl)-cyclohexan + cis-1-Brom-2-(dichlornitromethyl)-cyclohexan

Guidance literature:

With diethyl amine hydrochloride; copper dichloride; In acetonitrile;

DOI:10.1021/jo00863a039

upstream raw materials:

nitromethane

Downstream raw materials:

1-bromocyclohexane

1,2-dibromocyclohexane