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Basic Information
CAS No.: 81-26-5
Name: 2,2'-Dimethyl-1,1'-bianthraquinone
Molecular Structure:
Molecular Structure of 81-26-5 (2,2'-Dimethyl-1,1'-bianthraquinone)
Formula: C30H18 O4
Molecular Weight: 442.471
Synonyms: 1,1'-Bianthraquinone,2,2'-dimethyl- (6CI,8CI); 2,2'-Dimethyl-1,1'-bianthraquinone; Dichinyl; NSC667253; NSC 7230
Density: 1.1486 (rough estimate)
Boiling Point: 513.08°C (rough estimate)
Flash Point: 316.4oC
Safety: Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 68.28000
LogP: 5.52120
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Chemistry

Empirical Formula of 2,2'-Dimethyl-1,1'-bianthraquinone (CAS NO.81-26-5): C30H18O4
Molecular Weight: 442.4615 g/mol
EINECS: 201-338-3 
Index of Refraction: 1.693
Density: 1.355 g/cm3
Flash Point: 316.4 °C
Enthalpy of Vaporization: 102.29 kJ/mol
Boiling Point: 698.6 °C at 760 mmHg
Vapour Pressure: 2.29E-19 mmHg at 25 °C
Structure of 2,2'-Dimethyl-1,1'-bianthraquinone (CAS NO.81-26-5):
                      
IUPAC Name: 2-Methyl-1-(2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
Canonical SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC5=C4C(=OC6=CC=CC=C6C5=O)C
InChI: InChI=1S/C30H18O4/c1-15-11-13-21-25(29(33)19-9-5-3-7-17(19)27(21)31)23(15)24-16(2)12-14-22-26(24)30(34)20-10-6-4-8-18(20)28(22)32/h3-14H,1-2H3
InChIKey: SOHQSWHUIQYXPT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-mus LD50:180 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04855 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition 2,2'-Dimethyl-1,1'-bianthraquinone (CAS NO.81-26-5) emits acrid smoke and irritating vapors.

Specification

 2,2'-Dimethyl-1,1'-bianthraquinone , its cas register number is 81-26-5. It also can be called 1,1'-Bianthraquinone, 2,2'-dimethyl- (6CI,8CI) ; Dichinyl ; and 2,2'-Dimethyl-1,1'-bianthracene-9,9',10,10'-tetrone .