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| CAS No.: | 1128-05-8 |
|---|---|
| Name: | 3-Acetyl benz[b]thiophene |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H8 O S |
| Molecular Weight: | 176.239 |
| Synonyms: | Ketone,benzo[b]thien-3-yl methyl (6CI,7CI,8CI); 1-(3-Benzo[b]thienyl)ethanone;1-(Benzo[b]thien-3-yl)ethanone; 1-(Benzo[b]thiophen-3-yl)ethanone;3-Acetylbenzo[b]thiophene; 3-Acetylbenzothiophene; 3-Acetylthianaphthene;3-Acetylthionaphthene; NSC 3226 |
| EINECS: | -0 |
| Density: | 1.219g/cm3 |
| Melting Point: | 61-65 ºC |
| Boiling Point: | 165-170 ºC (13 mmHg) |
| Flash Point: | 165-170℃/10mm |
| Safety: | A poison by parenteral route. A flammable liquid. When heated to decomposition it emits toxic vapors of SOx. |
| PSA: | 45.31000 |
| LogP: | 3.10390 |
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Chemistry
IUPAC Name: 1-(1-benzothiophen-3-yl)ethanone
Synonyms of Methyl 3-thianaphthenyl ketone (CAS NO.1128-05-8): 3-Acetylbenzo(b)thiophene ; 3-Acetylbenzothiophene ; 3-Acetylthianaphthene ; 3-Acetylthionaphthene ; 5-17-10-00173 (Beilstein Handbook Reference) ; AI3-18374 ; BRN 0122587 ; Ketone, methyl 3-thianaphthenyl ; NSC 3226 ; Ethanone, 1-benzo(b)thien-3-yl- ; Ethanone, 1-benzo(b)thien-3-yl- (9CI) ; Ketone, benzo(b)thien-3-yl methyl (8CI) ; Ketone, methyl 3-thianaphthenyl ;
CAS NO: 1128-05-8
Molecular Formula of Methyl 3-thianaphthenyl ketone (CAS NO.1128-05-8): C10H8OS
Molecular Weight: 176.2349
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 45.31 Å2
Index of Refraction: 1.646
Molar Refractivity: 52.5 cm3
Molar Volume: 144.5 cm3
Surface Tension: 47.4 dyne/cm
Density: 1.219 g/cm3
Flash Point: 138 °C
Enthalpy of Vaporization: 54.49 kJ/mol
Boiling Point: 304.5 °C at 760 mmHg
Vapour Pressure: 0.00087 mmHg at 25°C
Molecular Structure: .png)
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | parenteral | 400mg/kg (400mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 690, 1955. |
Safety Profile
Safety Statements of Methyl 3-thianaphthenyl ketone (CAS NO.1128-05-8): 24/25
S24/25: Avoid contact with skin and eyes.
RTECS: OB6125000
A poison by parenteral route. A flammable liquid. When heated to decomposition it emits toxic vapors of SOx.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid