-
Name
1,3-Bis(hydroxyimino)propan-2-one
- EINECS
- CAS No. 41886-31-1
- Density 1.42g/cm3
- Solubility
- Melting Point 133 °C (decomp)
- Formula C3H4N2O3
- Boiling Point 362.574°C at 760 mmHg
- Molecular Weight 116.076
- Flash Point 173.079°C
- Transport Information
- Appearance
- Safety A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA 82.25000
- LogP -0.52450
Diisonitrosoacetone Chemical Properties
IUPAC Name: (1E,3E)-1,3-bis(hydroxyimino)propan-2-one
Synonyms of Diisonitrosoacetone (CAS NO.41886-31-1): 4-01-00-03781 (Beilstein Handbook Reference) ; BRN 1701879 ; 1,2,3-Propanetrione, 1,3-dioxime
CAS NO: 41886-31-1
Molecular Formula of Diisonitrosoacetone (CAS NO.41886-31-1): C3H4N2O
Molecular Weight: 116.0755
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 82.25 Å2
Index of Refraction: 1.524
Molar Refractivity: 25.031 cm3
Molar Volume: 81.753 cm3
Surface Tension: 59.119 dyne/cm
Density of Diisonitrosoacetone (CAS NO.41886-31-1): 1.42 g/cm3
Flash Point: 173.079 °C
Enthalpy of Vaporization: 70.435 kJ/mol
Boiling Point: 362.574 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Molecular Structure:
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Diisonitrosoacetone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 20mg/kg (20mg/kg) | Journal of Pharmaceutical Sciences. Vol. 53, Pg. 1143, 1964. | |
| rat | LDLo | intraperitoneal | 30mg/kg (30mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | British Journal of Pharmacology and Chemotherapy. Vol. 11, Pg. 417, 1956. |
Diisonitrosoacetone Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
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