BROMONITROMETHANE

Base Information Edit

Chemical Name:BROMONITROMETHANE
CAS No.:563-70-2
Molecular Formula:CH2BrNO2
Molecular Weight:139.936
Hs Code.:29049095
European Community (EC) Number:209-258-0
UNII:EG63P9EUR0
DSSTox Substance ID:DTXSID7060338
Nikkaji Number:J435I
Wikidata:Q27277165
ChEMBL ID:CHEMBL2335229
Mol file:563-70-2.mol

Synonyms:Bromonitromethane;Nitrobromomethane;a-Bromonitromethane;

Suppliers and Price of BROMONITROMETHANE

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Bromonitromethane
10g
$ 95.00

SynQuest Laboratories
Bromonitromethane, tech
25 g
$ 184.00

SynQuest Laboratories
Bromonitromethane, tech
5 g
$ 48.00

Sigma-Aldrich
Bromonitromethane technical grade, 90%
10g
$ 93.30

Sigma-Aldrich
Bromonitromethane technical grade, 90%
1g
$ 31.60

Medical Isotopes, Inc.
Bromonitromethane
25 g
$ 650.00

Matrix Scientific
Bromo(nitro)methane
5g
$ 700.00

Matrix Scientific
Bromo(nitro)methane
1g
$ 200.00

Matrix Scientific
Bromo(nitro)methane
0.500g
$ 160.00

Biosynth Carbosynth
Bromonitromethane
5 g
$ 150.00

Total 41 raw suppliers

Chemical Property of BROMONITROMETHANE Edit

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:4.42mmHg at 25°C
Melting Point:-28 °C
Refractive Index:1.485-1.495
Boiling Point:146-148 °C (750 mmHg)
PKA:7.22±0.29(Predicted)
Flash Point:35.4 °C
PSA：45.82000
Density:1.97 g/cm³
LogP:1.13870
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:138.92689
Heavy Atom Count:5
Complexity:39.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bromonitromethane ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi,O
Hazard Codes:Xn-O,Xi,O
Statements: 8-36/37/38-20/21/22
Safety Statements: 36/37/39-26-17-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C([N+](=O)[O-])Br
Uses Bromonitromethane has received considerable attention as a one-carbon synthon for the synthesis of a variety of important organic intermediates. Bromonitromethane is a key starting material for the preparation of the broad-spectrum antibiotic trovafloxacin, which contains the interesting 3-azabicyclo[ 3.1.0]hexane ring system. it was used in the synthesis of 2-nitrobenzofuran and 2-nitro-2,3-dihydrobenzofuran-3-ols, nitrobenzo-thio-phenes, and nitrothiazoles, polyfunctionalized nitrocyclopropanes. It has also been utilized in the synthesis of 1-bromo-1-nitroalkan-2-ols and aryl nitromethanes. In addition, it could be used as a bromine donor. Bromonitromethane has been used:in production of various protected α-bromo nitroalkane donors (including Fmoc) for use in Umpolung amide synthesisin preparation of (Z)-1-bromo-1-nitroalkenes via sodium iodide-catalyzed Henry reactionin diastereo- and enantioselective cyclopropanation of β,γ-unsaturated a-ketoesters via domino Michael-addition/intramolecular-alkylation strategy

Technology Process of BROMONITROMETHANE

There total 31 articles about BROMONITROMETHANE 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: 78.0%

: 75-52-5
nitromethane

: 563-70-2
bromonitromethane

Guidance literature:: With bromine; sodium bromide; sodium hydroxide; In water; at -10 ℃; for 0.5h; Inert atmosphere;
DOI:10.1055/s-0036-1591540