Methane, bromochlorodinitro-
Basic information
- CAS
33829-48-0- Standard SMILES
O=[N+]([O-])C(Cl)(Br)[N+](=O)[O-]- InChIKey
NMHBQAYMSSSTSG-UHFFFAOYSA-N- Molecular formula
- CBrClN2O4
- Average molar mass
- 219.38 g/mol
- Monoisotopic mass
- 217.873
Names & identifiers
- Preferred name
- Methane, bromochlorodinitro-
- IUPAC
- bromo-chloro-dinitromethane
- English name
- Bromo(chloro)dinitromethane
- Molecular formula
- CBrClN2O4
- Molecular weight
- 219.38
Names & synonyms
BromochlorodinitromethaneMETHANE, BROMOCHLORODINITRO-33829-48-0BRN 1772868DTXSID101874772-01-00-00044 (Beilstein Handbook Reference)RefChem:156903DTXCID20109968Bromo(chloro)dinitromethaneBromo(chloro)di(nitro)methane
Database identifiers
- CAS
33829-48-0- PubChem CID
- 36608
- DTXSID
DTXSID10187477- Nikkaji
- J41.667C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 9.3 °C · 9.3°C
- Boiling point
- 75 · 75-76 °C(Press: 15 Torr)
- Density
- 2.304 · 2.3040 (rough estimate)
- refractive index
- 1.571 · 1.5710 (estimate)
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Related reactions
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Compound notes
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