-
Name
AIDS124927
- EINECS
- CAS No. 3570-93-2
- Article Data2
- CAS DataBase
- Density 1.606g/cm3
- Solubility
- Melting Point
- Formula C6H9 N3 O3
- Boiling Point 343.969°C at 760 mmHg
- Molecular Weight 171.156
- Flash Point 161.827°C
- Transport Information
- Appearance
- Safety Explodes violently when heated to 155°C. Potentially explosive reaction with sulfinyl chloride. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,2,3-Cyclohexanetrione,trioxime (6CI,7CI,8CI,9CI); NSC 56450; Nicon
- PSA 97.77000
- LogP 0.66090
1,2,3-Cyclohexanetrione Trioxime Chemical Properties
Chemistry informtion about 1,2,3-Cyclohexanetrione Trioxime(3570-93-2) is:
IUPAC Name: (NZ)-N-[3-(hydroxyamino)-2-nitrosocyclohex-2-en-1-ylidene]hydroxylamine
Synonyms: 3-(hydroxyamino)-2-nitroso-cyclohex-2-en-1-one oxime Molecular Weight: 171.15396 [g/mol]
Molecular Formula: C6H9N3O3
XLogP3-AA: 0.5
H-Bond Donor: 3
H-Bond Acceptor: 6
Density: 1.6 g/cm3
Flash Point: 161.8 °C
Enthalpy of Vaporization: 68.09 kJ/mol
Boiling Point: 344 °C at 760 mmHg
Vapour Pressure: 4.34E-06 mmHg at 25°C
Following is the molecular structure of 1,2,3-Cyclohexanetrione Trioxime(3570-93-2) is:
1,2,3-Cyclohexanetrione Trioxime Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | unreported | 440mg/kg (440mg/kg) | Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978. |
1,2,3-Cyclohexanetrione Trioxime Safety Profile
Explodes violently when heated to 155°C. Potentially explosive reaction with sulfinyl chloride. When heated to decomposition it emits toxic fumes of NOx.
1,2,3-Cyclohexanetrione Trioxime Specification
Descriptors Computed from Structure about 1,2,3-Cyclohexanetrione Trioxime(3570-93-2) are:
Canonical SMILES: C1CC(=C(C(=NO)C1)N=O)NO
Isomeric SMILES: C1CC(=C(/C(=N\O)/C1)N=O)NO
InChI: InChI=1S/C6H9N3O3/c10-7-4-2-1-3-5(8-11)6(4)9-12/h7,10-11H,1-3H2/b8-5-
InChIKey: WOFQWNAHGIGDMJ-YVMONPNESA-N
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