Dibromochloronitromethane
Basic information
- CAS
1184-89-0- Standard SMILES
O=[N+]([O-])C(Cl)(Br)Br- InChIKey
TWDGXJVDOONOHS-UHFFFAOYSA-N- Molecular formula
- CBr2ClNO2
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 250.79843
Names & identifiers
- Preferred name
- Dibromochloronitromethane
- IUPAC
- dibromo-chloro-nitromethane
- English name
- DIBROMOCHLORONITROMETHANE
- Molecular formula
- CBr2ClNO2
- Molecular weight
- 253.28
Names & synonyms
Dibromochloronitromethane1184-89-0Methane, dibromochloronitro-CCRIS 9504DTXSID00152114RefChem:132900DTXCID8074605TWDGXJVDOONOHS-UHFFFAOYSA-Ndibromo-chloro-nitromethaneMethane,dibromochloronitro-DBCNMCBr2ClNO2
Show more names
CHLORODIBROMONITROMETHANE
dibromo-chloro-nitro-methaneDibromo(chloro)(nitro)methaneorb1984869SCHEMBL29060558MFCD11040919AKOS040756525DB-342562HY-133634
Database identifiers
- CAS
1184-89-0- PubChem CID
- 610004
- DTXSID
DTXSID00152114- Nikkaji
- J80.066J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.2
Physicochemical properties
- Boiling point
- 67 · 67-69 °C(Press: 22 Torr)
- Density
- 2.398 g/cm3 · 2.398 g/cm3(Temp: 25 °C)
- solubility
- Chloroform (Slightly), Dichloromethane (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Light Sensitive
- EPA Substance Registry System
- Methane, dibromochloronitro- (1184-89-0)
Chemistry & industry
Applications
UsesA nitrogenous disinfection byproducts (N-DBPs) found in drinking water. Mutagenic in Salmonella and potent inducers of DNA strand breaks in mammalian cells
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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