Product Name: 1,7-Dinitrophenazine
CAS Registry Number: 105836-99-5
Synonyms: 1,7-Dinitrophenazine ; CCRIS 3017
Systematic Name: 1,7-Dinitrophenazine ; Phenazine, 1,7-dinitro-
IUPAC Name: 1,7-dinitrophenazine
Molecular Weight: 270.20044 [g/mol]
Molecular Formula: C12H6N4O4
XLogP3-AA: 2.3
H-Bond Acceptor: 6
Surface Tension: 88.1 dyne/cm
Density: 1.61 g/cm3
Flash Point: 269.7 °C
Enthalpy of Vaporization: 76.58 kJ/mol
Boiling Point: 522.4 °C at 760 mmHg
Vapour Pressure: 1.73E-10 mmHg at 25°C
Following is the molecular structure of 1,7-Dinitrophenazine (CAS NO.105836-99-5) is:
1. | mic-sat 100 ng/plate | MUREAV Mutation Research. 225 (1989),75. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Descriptors computed from structure, you can know some information about 1,7-Dinitrophenazine (CAS NO.105836-99-5) :
Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C3C=CC(=CC3=N2)[N+](=O)[O-]
InChI: InChI=1S/C12H6N4O4/c17-15(18)7-4-5-8-10(6-7)13-9-2-1-3-11(16(19)20)12(9)14-8/h1-6H
InChIKey: XVHUXSNDANREND-UHFFFAOYSA-N
Exact Mass: 270.038905
MonoIsotopic Mass: 270.038905
Topological Polar Surface Area: 112
Heavy Atom Count: 20
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