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Basic Information
CAS No.: 84-12-8
Name: phanquone
Article Data: 7
Molecular Structure:
Molecular Structure of 84-12-8 (phanquone)
Formula: C12H6 N2 O2
Molecular Weight: 210.192
Synonyms: Phenanthrolinedione(6CI); 11925C; 4,7-Phenanthroline-5,6-quinone; CIBA 11925; Enthobex; Entobex;Entronon; Phanchinone; Phanquinone; Phanquinonum; Phanquone
Density: 1.444g/cm3
Melting Point: 295° (dec)
Boiling Point: 456.1°C at 760 mmHg
Flash Point: 229.1°C
Safety: Poison by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 59.92000
LogP: 1.52260
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Chemistry

IUPAC: 4,7-Phenanthroline-5,6-dione
 4,7-Phenanthroline-5,6-dione with CAS No.of 84-12-8 is also called for 11925 C ; 5-24-08-00363 (Beilstein Handbook Reference) ; BRN 0160657 ; Ciba 11925 ; EINECS 201-516-0 ; Enthohex ; Entobex ; Entronon ; Fanquinona ; Phanchinonum ; Phanquinone ; Phanquinonum ; Phanquone ; UNII-ID94IS6N8J and so on.
CAS: 84-12-8
Molecular Formula: C12H6N2O2
Molecular Weight: 210.18824
EINECS: 201-516-0
ACD/LogP: 0.15 
ACD/LogD (pH 5.5): 0.15 
ACD/LogD (pH 7.4): 0.15 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 28.62 
ACD/KOC (pH 7.4): 28.62 
H bond acceptors: 4 
H bond donors: 0 
Freely Rotating Bonds: 0
Heavy Atom Count: 16
Formal Charge: 0
Complexity: 297
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Polar Surface Area: 59.92Å2 
Index of Refraction: 1.677 
Molar Refractivity: 54.85 cm3 
Molar Volume: 145.5 cm3 
Surface Tension: 73.4 dyne/cm 
Density: 1.444 g/cm3 
Flash Point: 229.1 °C 
Enthalpy of Vaporization: 71.6 kJ/mol 
Boiling Point: 456.1 °C at 760 mmHg 
Vapour Pressure: 1.66E-08 mmHg at 25°C 
The molecular structure of  4,7-Phenanthroline-5,6-dione with CAS No.of 84-12-8:

Uses

 4,7-Phenanthroline-5,6-dione (CAS No.84-12-8) is used as therapeutic agent.

Toxicity Data With Reference

1.    

sln-asn 1 g/L

     MUREAV    Mutation Research. 26 (1974),159.
2.    

orl-rat LD50:5 mg/kg

     ANTCAO    Antibiotics and Chemotherapy. 8 (1958),297.
3.    

orl-mus LD50:4 mg/kg

     ANTCAO    Antibiotics and Chemotherapy. 8 (1958),297.

Safety Profile

Poison by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

Removal in wastewater treatment of 4,7-Phenanthroline-5,6-dione (CAS No.84-12-8):
Total removal:1.91  percent
Total biodegradation:0.09  percent
Total sludge adsorption:1.81  percent
Total to air:0.00  percent
(using 10000 hr Bio P,A,S)