Bromochloronitromethane

Base Information

• Chemical Name: Bromochloronitromethane
• CAS No.: 135531-25-8
• Molecular Formula: CHBrClNO2
• Molecular Weight: 174.38
• DSSTox Substance ID: DTXSID30881187
• Nikkaji Number: J1.995.074C
• Mol file: 135531-25-8.mol

Synonyms:Bromochloronitromethane;135531-25-8;bromo-chloro-nitromethane;bromo(chloro)nitromethane;Methane, bromochloronitro-;CCRIS 9503;DTXSID30881187;AKOS006295661;AKOS040756677;Bromochloronitromethane (>85per cent);HY-133636;CS-0128462;FT-0663674;J-006715

Chemical Property of Bromochloronitromethane

Chemical Property:

• Vapor Pressure: 8.77mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 132.7°C at 760 mmHg
• PKA: -0.76±0.50(Predicted)
• Flash Point: 34°C
• PSA: 45.82000
• Density: 2.106g/cm³
• LogP: 1.70360
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 172.88792
• Heavy Atom Count: 6
• Complexity: 61.1

Purity/Quality:

98%Min ^*data from raw suppliers

Bromochloronitromethane(>85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C([N+](=O)[O-])(Cl)Br
• Uses: Halonitromethanes (HNMs) are a recently identified class of disinfection byproducts (DPBs) in drinking water that are mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells.

Technology Process of Bromochloronitromethane

There total 1 articles about Bromochloronitromethane 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:

methyl bromochloronitroacetate (134538-97-9) → bromochloronitromethane (135531-25-8)

Guidance literature:

With sulfuric acid; for 3h; Heating;

DOI:10.1021/es030477l

upstream raw materials:

methyl bromochloronitroacetate

Refernces