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Basic Information
CAS No.: 800-24-8
Name: 2,5-diaziridin-1-yl-3,6-bis(2-methoxyethoxy)cyclohexa-2,5-diene-1,4-di one
Molecular Structure:
Molecular Structure of 800-24-8 (2,5-diaziridin-1-yl-3,6-bis(2-methoxyethoxy)cyclohexa-2,5-diene-1,4-di one)
Formula: C16H22N2O6
Molecular Weight: 338.40
Synonyms: A-139;Bayer A 139;Bayer E39 soluble;E 39 Soluble;Benzoquinone aziridine;AZIRIDYL BENZOQUINONE;BAY A 139;
Density: 1.33g/cm3
Boiling Point: 500°C at 760 mmHg
Flash Point: 256.2°C
Safety: Deadly poison by intravenous route. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 77.08000
LogP: -0.60560
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Chemistry

IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(2-methoxyethoxy)cyclohexa-2,5-diene-1,4-dione
Synonyms of Benzoquinone aziridine (CAS NO.800-24-8): 2,5-Bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-1,4-benzoquinone ; 3,6-Bis(beta-methoxyethoxy)-2,5-bis(ethyleneimino)-p-benzoquinone ; 4-20-00-00034 (Beilstein Handbook Reference) ; A 139 ; AI3-26382 ; Aziridyl benzoquinone ; BAY A 139 ; BRN 0320574 ; Bayer E39 soluble ; CCRIS 64 ; E 39 Soluble ; NSC-17262
CAS NO: 800-24-8
Molecular Formula of Benzoquinone aziridine (CAS NO.800-24-8): C16H22N2O6
Molecular Weight: 338.3557
Molecular Structure:

H bond acceptors: 8
H bond donors: 0
Freely Rotating Bonds: 10
Polar Surface Area: 77.08 Å2
Index of Refraction: 1.576
Molar Refractivity: 83.87 cm3
Molar Volume: 253.4 cm3
Surface Tension: 54 dyne/cm
Density of Benzoquinone aziridine (CAS NO.800-24-8): 1.33 g/cm3
Flash Point: 256.2 °C
Enthalpy of Vaporization: 76.85 kJ/mol
Boiling Point: 500 °C at 760 mmHg
Vapour Pressure: 3.94E-10 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 250ug/kg (0.25mg/kg) GASTROINTESTINAL: OTHER CHANGES

BLOOD: LEUKOPENIA

BLOOD: THROMBOCYTOPENIA		 Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 203, 1965.
monkey LDLo intravenous 500ug/kg (0.5mg/kg) GASTROINTESTINAL: OTHER CHANGES

BLOOD: LEUKOPENIA

BLOOD: OTHER CHANGES		 Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 203, 1965.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(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 Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 (1975),p. 51.(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) . EPA Genetic Toxicology Program.

Safety Profile

Deadly poison by intravenous route. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.