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Cas Database |
| Name |
1-Benzothiophene-3-carbaldehyde |
EINECS | 611-051-9 |
| CAS No. | 5381-20-4 | Density | 1.3 g/cm3 |
| PSA | 45.31000 | LogP | 2.71380 |
| Solubility | N/A | Melting Point |
53-57 °C(lit.) |
| Formula | C9H6OS | Boiling Point | 303.2 °C at 760 mmHg |
| Molecular Weight | 162.212 | Flash Point | 137.2 °C |
| Transport Information | N/A | Appearance | yellow to brown crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Benzothiophene-3-carboxaldehyde;3-Benzothiophenecarboxaldehyde;3-Formylbenzo[b]thiophene;3-Thianaphthenecarboxaldehyde;Benzo[b]thiophene-3-aldehyde;Thianaphtene-3-carboxaldehyde; |
Article Data | 29 |
1-Benzothiophene-3-carbaldehyde Chemical Properties
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IUPAC Name: 1-Benzothiophene-3-carbaldehyde
Molecular Formula: C9H6OS
Molecular Weight: 162.21 g/mol
Canonical SMILES: C1=CC=C2C(=C1)C(=CS2)C=O
InChI: InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
Product Categories: Pharmaceutical Intermediates; Heterocycles; Heterocyclic Compound
XLogP3: 2.6
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 162.013936
MonoIsotopic Mass: 162.013936
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Complexity: 158
Melting Point: 53-57 °C(lit.)
Index of Refraction: 1.719
Molar Refractivity: 49.23 cm3
Molar Volume: 124.6 cm3
Polarizability: 19.51×10-24 cm3
Surface Tension: 54.8 dyne/cm
Density: 1.3 g/cm3
Flash Point: 137.2 °C
Enthalpy of Vaporization: 54.35 kJ/mol
Boiling Point: 303.2 °C at 760 mmHg
Vapour Pressure of 1-Benzothiophene-3-carbaldehyde (CAS NO.5381-20-4): 0.000944 mmHg at 25 °C
1-Benzothiophene-3-carbaldehyde Safety Profile
Hazard Codes: 
Xi
WGK Germany: 3
Hazard Note of 1-Benzothiophene-3-carbaldehyde (CAS NO.5381-20-4): Irritant
1-Benzothiophene-3-carbaldehyde Specification
1-Benzothiophene-3-carbaldehyde (CAS NO.5381-20-4), its Synonyms are Thianaphthene-3-carboxaldehyde ; 1-Benzothiophene-3-carboxaldehyde ; Benzo[B]Thiophene-3-Carboxalde . It is yellow to brown crystalline powder.
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