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4-Methyl-3,5-Dinitroaniline
[CAS# 153919-64-3]

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Identification
Name 4-Methyl-3,5-Dinitroaniline
Molecular Structure CAS#: 153919-64-3, 4-Methyl-3,5-Dinitroaniline
Molecular Formula C7H7N3O4
Molecular Weight 197.15
CAS Registry Number 153919-64-3
SMILES CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]
InChI 1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
InChIKey KQRJATLINVYHEZ-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 382.6±37.0°C at 760 mmHg (Cal.)
Flash point 185.2±26.5°C (Cal.)
Refractive index 1.656 (Cal.)
References
(1) Duncan Graham, Alan R. Kennedy, Callum J. McHugh, W. Ewen Smith, William I. F. David, Kenneth Shankland and Norman Shankland. The crystal structures of three primary products from the selective reduction of 2,4,6-trinitrotoluene, New J. Chem., 2004, 28, 161.
Market Analysis Reports
List of Reports Available for 4-Methyl-3,5-Dinitroaniline
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