Home Nitros Bromonitromethane

Bromonitromethane

CAS No.:
563-70-2
Catalog Number:
AG0034KI
Molecular Formula:
CH2BrNO2
Molecular Weight:
139.9361
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$121
- +
5g
90%
In Stock USA
United States
$323
- +
Product Description
Catalog Number:
AG0034KI
Chemical Name:
Bromonitromethane
CAS Number:
563-70-2
Molecular Formula:
CH2BrNO2
Molecular Weight:
139.9361
MDL Number:
MFCD00007401
IUPAC Name:
bromo(nitro)methane
InChI:
InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2
InChI Key:
DNPRVXJGNANVCZ-UHFFFAOYSA-N
SMILES:
BrCN(=O)=O
EC Number:
209-258-0
UNII:
EG63P9EUR0
Properties
Complexity:
39.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.927g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.936g/mol
Monoisotopic Mass:
138.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Enantioselective synthesis of α-oxy amides via Umpolung amide synthesis. Journal of the American Chemical Society 20120919
Evidence for chemical and cellular reactivities of the formaldehyde releaser bronopol, independent of formaldehyde release. Chemical research in toxicology 20111219
Determination of halonitromethanes in treated water. Journal of chromatography. A 20110506
Toxicity profile of labile preservative bronopol in water: the role of more persistent and toxic transformation products. Environmental pollution (Barking, Essex : 1987) 20110201
Umpolung reactivity in amide and peptide synthesis. Nature 20100624
Free-radical chemistry of disinfection byproducts. 3. Degradation mechanisms of chloronitromethane, bromonitromethane, and dichloronitromethane. The journal of physical chemistry. A 20100114
Genotoxic evaluation of two halonitromethane disinfection by-products in the Drosophila wing-spot test. Chemosphere 20090501
Genotoxicity analysis of two halonitromethanes, a novel group of disinfection by-products (DBPs), in human cells treated in vitro. Environmental research 20090401
Enantioselective synthesis of functionalized nitrocyclopropanes by organocatalytic conjugate addition of bromonitroalkanes to alpha,beta-unsaturated enones. Chemistry (Weinheim an der Bergstrasse, Germany) 20090101
A catalytic highly enantioselective direct synthesis of 2-bromo-2-nitroalkan-1-ols through a Henry reaction. Chemical communications (Cambridge, England) 20081021
Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media. Organic & biomolecular chemistry 20080507
Efficient addition reaction of bromonitromethane to aldehydes catalyzed by NaI: a new route to 1-bromo-1-nitroalkan-2-ols under very mild conditions. Organic letters 20061221
Efficient nitro-aldol reaction using SmI2: a new route to nitro alcohols under very mild conditions. The Journal of organic chemistry 20060929
Free radical chemistry of disinfection-byproducts. 1. Kinetics of hydrated electron and hydroxyl radical reactions with halonitromethanes in water. The journal of physical chemistry. A 20060216
Mutagenicity in Salmonella of halonitromethanes: a recently recognized class of disinfection by-products in drinking water. Mutation research 20040808
Halonitromethane drinking water disinfection byproducts: chemical characterization and mammalian cell cytotoxicity and genotoxicity. Environmental science & technology 20040101
Properties