2,3-Dimethyl-2,3-dinitrobutane

• CAS: 3964-18-9
• Catalog Number: ACM3964189
• Category: Other Products
• Molecular Weight: 176.17
• Molecular Formula: C6H12N2O4
• Synonyms: Butane, 2,3-dimethyl-2,3-dinitro-
• IUPAC Name: 2,3-dimethyl-2,3-dinitrobutane
• Canonical SMILES: CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-]
• InChI Key: DWCLXOREGBLXTD-UHFFFAOYSA-N
• Boiling Point: 219.8ºC at 760 mmHg
• Melting Point: 214-215ºC (dec.)(lit.)
• Flash Point: 80.2ºC
• Density: 1.149 g/cm³
• Appearance: white to off-white crystal or crystalline powder
• Complexity: 187
• Defined Atom Stereocenter Count: 0
• EC Number: 223-569-9
• Exact Mass: 176.0797
• Formal Charge: 0
• Hazard Statements: T: Toxic
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 176.0797
• Rotatable Bond Count: 1
• Safety Description: 45
• Topological Polar Surface Area: 91.6 Ų
• WGK Germany: 3
• XLogP3-AA: 1