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Cas Database |
| Name |
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) |
EINECS | N/A |
| CAS No. | 64466-48-4 | Density | 1.184g/cm3 |
| PSA | 48.67000 | LogP | 2.65260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H12 O4 | Boiling Point | 325.9°C at 760 mmHg |
| Molecular Weight | 220.225 | Flash Point | 150.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6,7-Dimethoxy-2-benzofuranyl methyl ketone;2-Acetyl-6,7-dimethoxy-benzofuran;KETONE,6,7-DIMETHOXY-2-BENZOFURANYL METHYL; |
Article Data | 3 |
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Chemical Properties
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IUPAC: 1-(6,7-dimethoxy-1-benzofuran-3-yl)ethanone
Molecular Formula: C12H12O4
Molecular Weight: 220.221280 g/mol
Canonical SMILES: O=C(c1c2ccc(OC)c(OC)c2oc1)C
InChI: InChI=1/C12H12O4/c1-7(13)9-6-16-11-8(9)4-5-10(14-2)12(11)15-3/h4-6H,1-3H3
Mol File: 64466-48-4.mol
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 220.073559
MonoIsotopic Mass: 220.073559
Topological Polar Surface Area: 48.7
Heavy Atom Count: 16
Complexity: 266
Classification Code: Drug / Therapeutic Agent
Index of Refraction: 1.556
Molar Refractivity: 59.78 cm3
Molar Volume: 185.8 cm3
Polarizability: 23.69×10-24cm3
Surface Tension: 38.6 dyne/cm
Density: 1.184 g/cm3
Flash Point: 150.9 °C
Enthalpy of Vaporization: 56.8 kJ/mol
Boiling Point: 325.9 °C at 760 mmHg
Vapour Pressure of Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) (CAS NO.64466-48-4): 0.000224 mmHg at 25 °C
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977. |
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Safety Profile
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) (CAS NO.64466-48-4) emits acrid smoke and irritating vapors.
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) Specification
Ethanone, 1-(6,7-dimethoxy-2-benzofuranyl)- (9CI) (CAS NO.64466-48-4) can be called Ketone, 6,7-dimethoxy-2-benzofuranyl methyl ; -(6,7-Dimethoxy-2-benzofuranyl)ethanone ; 5-18-03-00245 (Beilstein Handbook Reference) ; 6,7-Dimethoxy-2-benzofuranyl methyl ketone ; BRN 1248797 .
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