Dichloronitromethane
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Basic information
- CAS
7119-89-3- Standard SMILES
O=[N+]([O-])C(Cl)Cl- InChIKey
XUNYLLBGLKGFHO-UHFFFAOYSA-N- Molecular formula
- CHCl2NO2
- Average molar mass
- 129.93 g/mol
- Monoisotopic mass
- 128.9384337
Overview
structure in first source
Names & identifiers
- Preferred name
- Dichloronitromethane
- IUPAC
- dichloro(nitro)methane
- English name
- DICHLORONITROMETHANE
- Molecular formula
- CHCl2NO2
- Molecular weight
- 129.93
Names & synonyms
DichloronitromethaneMethane, dichloronitro-7119-89-3DTXSID30221387RefChem:133086DTXCID30143878dichloro(nitro)methaneCHCl2NO2CCRIS 8397SCHEMBL5958790XUNYLLBGLKGFHO-UHFFFAOYSA-NMFCD00869305
Show more names
DichloropicrinNitrodichloromethane
AKOS006271456AKOS040758305DB-333945HY-133632CS-0128458NS00009263
Database identifiers
- CAS
7119-89-3- PubChem CID
- 165571
- DTXSID
DTXSID30221387- Nikkaji
- J81.330C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 57.1
Physicochemical properties
- Boiling point
- 106 · 106-107 °C
- Density
- 2.122 g/cm3 · 2.122 g/cm3
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Chloroform
- pka
- -0.76 · -0.76±0.50(Predicted)
- form
- Oil
- color
- Clear Colorless to Pale Yellow
- EPA Substance Registry System
- Methane, dichloronitro- (7119-89-3)
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.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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