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68-76-8

Basic Information
CAS No.: 68-76-8
Name: trisethyleneiminoquinone
Molecular Structure:
Molecular Structure of 68-76-8 (trisethyleneiminoquinone)
Formula: C12H13 N3 O2
Molecular Weight: 231.254
Synonyms: 2,5-Cyclohexadiene-1,4-dione,2,3,5-tris(1-aziridinyl)- (9CI); p-Benzoquinone, 2,3,5-tris(1-aziridinyl)- (8CI);p-Benzoquinone, tris(1-aziridinyl)- (6CI); 10257RP;2,3,5-Ethylenimine-1,4-benzoquinone; 2,3,5-Triethyleneimino-p-benzoquinone;2,3,5-Tris(aziridinyl)-1,4-benzoquinone;2,3,5-Tris(ethylenimino)-1,4-benzoquinone; 2,3,5-Tris(ethylenimino)-p-benzoquinone;2,3,5-Trisethyleneiminobenzoquinone; A 163; BAY 3231; NSC-29215; Oncoredox;Oncovedex; Prenimon; Riker 601; TEIB; Trenimon; Treninon; Triaziquinone;Triaziquinonum; Triaziquon; Triaziquone; Triethyleneiminobenzoquinone;Triethyleniminobenzoquinone; Tris(1-aziridinyl)-p-benzoquinone;Tris(aziridinyl)-p-benzoquinone; Tris(ethyleneimino)benzoquinone;Trisethyleneiminoquinone
Density: 1.727g/cm3
Melting Point: 162.5-163°
Boiling Point: 376.5°C at 760 mmHg
Flash Point: 175.1°C
Safety: Poison by intraperitoneal, intravenous, and parenteral routes. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as a drug for the treatment of neoplastic diseases.
PSA: 43.17000
LogP: -1.00580
Synthetic route
151-56-4

ethyleneimine

530-55-2

2,6-dimethoxy-p-quinone

A

5677-51-0

2,6-bis-aziridin-1-yl-hydroquinone

B

68-76-8

triaziquone

Conditions
ConditionsYield
With methanol
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Chemistry

EINECS: 200-692-6 
Empirical Formula: C12H13N3O2
Molecular Weight: 231.2505 g/mol
Index of Refraction: 1.846
Density: 1.727 g/cm3
Flash Point: 175.1 °C
Enthalpy of Vaporization: 62.42 kJ/mol
Boiling Point: 376.5 °C at 760 mmHg
Vapour Pressure: 7.19E-06 mmHg at 25 °C
Solubility: Slightly soluble in water
Appearance: Purple needle-like crystals
Structure of Triaziquone (CAS NO.68-76-8):
                    
IUPAC Name: 2,3,5-Tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
Canonical SMILES: C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4
InChI: InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2
InChIKey: PXSOHRWMIRDKMP-UHFFFAOYSA-N

Uses

Triaziquone (CAS NO.68-76-8)  can be used as a drug for the treatment of neoplastic diseases.

Toxicity Data With Reference

1.    

sln-dmg-orl 50,000 ppm

    MUREAV    Mutation Research. 2 (1965),29.
2.    

cyt-hmn:lym 50 nmol/L

    MUREAV    Mutation Research. 149 (1985),83.
3.    

ipr-rat LD50:500 µg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1533.
4.    

ivn-rat LD50:500 µg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1467.
5.    

par-rat LD50:500 µg/kg

    RRCRBU    Recent Results in Cancer Research. 52 (1975),76.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 367.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 ,1975,p. 67.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 ,1975,p. 67.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Community Right-To-Know List. EPA Genetic Toxicology Program.

Safety Profile

Poison by intraperitoneal, intravenous, and parenteral routes. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition Triaziquone (CAS NO.68-76-8) emits toxic fumes of NOx.

Specification

 Triaziquone , its cas register number is 68-76-8. It also can be called 2,3,5-Tris(ethyleneimino)benzoquinone ; Tris(1-aziridinyl)-p-benzoquinone ; 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tris(1-aziridinyl)- ; and 2,3,5-Tri(1-aziridinyl)benzo-1,4-quinone . It is an amine , and amines are chemical bases. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Triaziquone (CAS NO.68-76-8) is probably combustible.