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Cas Database |
| Name |
N-(2-Benzothiazolyl)-acetoacetamide |
EINECS | N/A |
| CAS No. | 4692-94-8 | Density | 1.382g/cm3 |
| PSA | 87.30000 | LogP | 2.28690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H10 N2 O2 S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 234.279 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetoacetamide,N-2-benzothiazolyl- (6CI,7CI,8CI); 2-(Acetoacetamido)benzothiazole; NSC 86136 |
Article Data | 15 |
N-(2-Benzothiazolyl)-acetoacetamide Chemical Properties
IUPAC Name: N-(1,3-Benzothiazol-2-yl)-3-oxobutanamide
Synonyms of N-(2-Benzothiazolyl)-acetoacetamide (CAS NO.4692-94-8): 2-(Acetoacetamido)benzothiazole ; Acetoacetamide, N-(2-benzothiazolyl)- ;Acetoacetamide, N-(2-benzothiazolyl)- ; Butanamide, N-2-benzothiazolyl-3-oxo- (9CI)
InChI: InChI=1/C11H10N2O2S/c1-7(14)6-10(15)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3,(H,12,13,15)
InChIKey: KRVAVIMTIIEASB-UHFFFAOYAQ
Std. InChI: InChI=1S/C11H10N2O2S/c1-7(14)6-10(15)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3,(H,12,13,15)
Std. InChIKey: KRVAVIMTIIEASB-UHFFFAOYSA-N
CAS NO: 4692-94-8
Molecular Formula: C11H10N2O2S
Molecular Weight: 234.2743
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 78.51 Å2
Index of Refraction: 1.681
Molar Refractivity: 64.13 cm3
Molar Volume: 169.4 cm3
Surface Tension: 62.6 dyne/cm
Density: 1.382 g/cm3
N-(2-Benzothiazolyl)-acetoacetamide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02307, |
N-(2-Benzothiazolyl)-acetoacetamide Safety Profile
A poison by intravenous route. When N-(2-Benzothiazolyl)-acetoacetamide (CAS NO.4692-94-8) is heated to decomposition ,it emits toxic vapors of NOx and SOx.
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