for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Bromochloronitromethane is a Halonitromethane. 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.
| Canonical Smiles | C([N+](=O)[O-])(Cl)Br |
|---|---|
| IUPAC Name | bromo-chloro-nitromethane |
| InChIKey | QUGLTGHXUDTPKJ-UHFFFAOYSA-N |
| INCHI | 1S/CHBrClNO2/c2-1(3)4(5)6/h1H |
| Isomeric SMILES | C([N+](=O)[O-])(Cl)Br |
| UN Number | 2810 |
| Packing Group | I |
| Molecular Weight | 174.38 |
| Reaxy-Rn | 4797217 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4797217&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | C-nitro compounds |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organochloride - Organobromide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. |
| External Descriptors | Not available |
| Molecular Weight | 174.380 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 172.888 Da |
| Monoisotopic Mass | 172.888 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 61.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
