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21587-39-3

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Basic Information
CAS No.: 21587-39-3
Name: 1-(5-Methoxy-2-benzofuranyl)ethanone
Article Data: 15
Molecular Structure:
Molecular Structure of 21587-39-3 (1-(5-Methoxy-2-benzofuranyl)ethanone)
Formula: C11H10O3
Molecular Weight: 190.199
Synonyms: Acetyl-2 methoxy-5 benzofuranne;KETONE,5-METHOXY-2-BENZOFURANYL METHYL;5-Methoxy-2-benzofuranyl methyl ketone;2-Acetyl-5-methoxy-benzofuran;
Density: 1.174g/cm3
Boiling Point: 300.3°Cat760mmHg
Flash Point: 135.4°C
Safety: Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 39.44000
LogP: 2.64400
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Chemistry

IUPAC Name: 1-(5-Methoxy-1-benzofuran-2-yl)ethanone 
Following is the structure of 5-Methoxy-2-benzofuranyl methyl ketone (CAS NO.21587-39-3):
             
Empirical Formula: C11H10O3
Molecular Weight: 190.1953 g/mol
Surface Tension: 39.9 dyne/cm
Density: 1.174 g/cm3
Flash Point: 135.4 °C
Enthalpy of Vaporization: 54.03 kJ/mol
Boiling Point: 300.3 °C at 760 mmHg
Vapour Pressure: 0.00113 mmHg at 25 °C
Index of Refraction of 5-Methoxy-2-benzofuranyl methyl ketone (CAS NO.21587-39-3): 1.569
Canonical SMILES: CC(=O)C1=CC2=C(O1)C=CC(=C2)OC
InChI: InChI=1S/C11H10O3/c1-7(12)11-6-8-5-9(13-2)3-4-10(8)14-11/h3-6H,1-2H3
InChIKey: DZOXPAYEAYNYMA-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:1000 mg/kg

     EJMCA5    European Journal of Medicinal Chemistry. Chimie Therapeutique. 12 (1977),383.

Safety Profile

 Moderately is toxic by intraperitoneal route. A flammable liquid. When heated to decomposition, 5-Methoxy-2-benzofuranyl methyl ketone (CAS NO.21587-39-3) emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 5-Methoxy-2-benzofuranyl methyl ketone , its cas register number is 21587-39-3. It also can be called 1-(5-Methoxy-2-benzofuranyl)ethanone ; and Ethanone, 1-(5-methoxy-2-benzofuranyl)- (9CI) . Its classification code is Drug / Therapeutic Agent.