Methane, dichlorodinitro-
Basic information
- CAS
1587-41-3- Standard SMILES
O=[N+]([O-])C(Cl)(Cl)[N+](=O)[O-]- InChIKey
VLWDJCZBZPKOGX-UHFFFAOYSA-N- Molecular formula
- CCl2N2O4
- Average molar mass
- 174.92 g/mol
- Monoisotopic mass
- 173.9235119
Names & identifiers
- Preferred name
- Methane, dichlorodinitro-
- IUPAC
- dichloro(dinitro)methane
- English name
- Dichlorodinitromethane
- Molecular formula
- CCl2N2O4
- Molecular weight
- 174.93
Names & synonyms
DichlorodinitromethaneMETHANE, DICHLORODINITRO-1587-41-3BRN 1772861DTXSID10166500RefChem:811432DTXCID2088991dichloro(dinitro)methaneCCl2N2O4Dichloro-dinitro-methaneDichlorodi(nitro)methaneSCHEMBL11662477
Show more names
Dichlorodinitromethane(NET)
VLWDJCZBZPKOGX-UHFFFAOYSA-NMFCD01715475AKOS030239773
Database identifiers
- CAS
1587-41-3- PubChem CID
- 15318
- DTXSID
DTXSID10166500- Nikkaji
- J2.130J
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 128
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 121.5 °C · 121.5°C (estimate)
- Density
- 1.6124 · 1.6124
- refractive index
- 1.4575 · 1.4575
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Oil
- color
- Colourless to Light Yellow
- Stability
- Light Sensitive, Volatile
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 3
Chemistry & industry
Applications
UsesDichlorodinitromethane is a derivative of nitromethane which is used in the preparation of Thermobaric explosives (TBX's).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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