Basic information
- CAS
918-01-4- Standard SMILES
O=[N+]([O-])C(Cl)(Cl)Br- InChIKey
JMZWGJLCNQYBHT-UHFFFAOYSA-N- Molecular formula
- CBrCl2NO2
- Average molar mass
- 208.82 g/mol
- Monoisotopic mass
- 206.84895
Names & identifiers
- Preferred name
- Bromodichloronitromethane
- IUPAC
- bromo-dichloro-nitromethane
- English name
- Bromodichloronitromethane
- Molecular formula
- CBrCl2NO2
- Molecular weight
- 208.83
Names & synonyms
Bromodichloronitromethane918-01-4Dichlorobromonitromethanebromo-dichloro-nitromethaneMethane, bromodichloronitro-CCRIS 9505bromo-dichloro-nitro-methaneBDCNMCBrCl2NO2Bromo(dichloro)nitromethaneBromo(dichloro)nitromethane #Bromodi(chloro)(nitro)methane
Show more names
orb1984385DTXSID4021509JMZWGJLCNQYBHT-UHFFFAOYSA-NMFCD06795111AKOS040758458MSK167694-100BMSK167694-1000BDB-342496
Database identifiers
- CAS
918-01-4- PubChem CID
- 595829
- DTXSID
DTXSID4021509- Nikkaji
- J1.769.638F
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 52 °C · 52 °C(Press: 22 Torr)
- Density
- 2.073 g/cm3 · 2.073 g/cm3(Temp: 25 °C)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- EPA Substance Registry System
- Methane, bromodichloronitro- (918-01-4)
Chemistry & industry
Applications
UsesHalonitromethanes (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.
Suppliers10 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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