-
Name
2-Hydroxy-5-amino-2,4,6-cycloheptatriene-1-one
- EINECS
- CAS No. 7021-46-7
- Density 1.356g/cm3
- Solubility
- Melting Point 177.25°C
- Formula C7H7NO2
- Boiling Point 262.3°Cat760mmHg
- Molecular Weight 137.138
- Flash Point 112.5°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,4,6-CYCLOHEPTATRIEN-1-ONE,5-AMINO-2-HYDROXY;5-Amino-tropolon;5-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one;VII tropolone;5-amino-2-hydroxytropone;5-amino-tropolone;5-aminotopolone;
- PSA 63.32000
- LogP 0.91580
5-Aminotropolone Chemical Properties
Product Name: 5-Aminotropolone (CAS NO.7021-46-7)
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Molecular Formula: C7H7NO2
Molecular Weight: 137.15g/mol
Mol File: 7021-46-7.mol
Boiling point: 262.3 °C at 760 mmHg
Storage Temperature:
Flash Point: 112.5 °C
Density: 1.356g/cm3
Surface Tension: 65.8 dyne/cm
Enthalpy of Vaporization: 58.08 kJ/mol
Vapour Pressure: 0.00156 mmHg at 25°C
XLogP3-AA: 0.8
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one
Canonical SMILES: C1=CC(=O)C(=CC=C1N)O
InChI: InChI=1S/C7H7NO2/c8-5-1-3-6(9)7(10)4-2-5/h1-4H,8H2,(H,9,10)
InChIKey: SJJUTRFFONLOHZ-UHFFFAOYSA-N
5-Aminotropolone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 230mg/kg (230mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANALGESIA | Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 550, 1971. |
| mouse | LD50 | intravenous | 175mg/kg (175mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972. | |
| mouse | LD50 | subcutaneous | 521mg/kg (521mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANALGESIA | Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 550, 1971. |
5-Aminotropolone Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NOx.
5-Aminotropolone Specification
5-Aminotropolone ,its CAS NO. is 7021-46-7,the synonyms is 4-14-00-00526 (Beilstein Handbook Reference) ; 5-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one ; BRN 1524779 ; NSC 102877 ; VII tropolone ; 2,4,6-Cycloheptatrien-1-one, 5-amino-2-hydroxy- .
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