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| CAS No.: | 107834-03-7 |
|---|---|
| Name: | 3-THIOPHEN-2-YL-BENZALDEHYDE |
| Article Data: | 42 |
| Molecular Structure: | |
|
|
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| Formula: | C11H8OS |
| Molecular Weight: | 188.25 |
| Synonyms: | 2-(4-Formylphenyl)thiophene;4-(2-Thienyl)benzaldehyde;4-Thiophen-2-ylbenzaldehyde; |
| Density: | 1.207 g/cm3 |
| Melting Point: | 67 °C |
| Boiling Point: | 324.9 °C at 760 mmHg |
| Flash Point: | 122.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 45.31000 |
| LogP: | 3.22760 |
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- Total:29 Page 1 of 1 1
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Specification
The Benzaldehyde,4-(2-thienyl)-, with the CAS registry number 107834-03-7, is also known as 4-(2-Thienyl)benzaldehyde. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiophenes. This chemical's molecular formula is C11H8OS and molecular weight is 188.25. What's more, its systematic name is 4-thiophen-2-ylbenzaldehyde. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides.
Physical properties of Benzaldehyde,4-(2-thienyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.31 Å2; (7)Index of Refraction: 1.637; (8)Molar Refractivity: 55.98 cm3; (9)Molar Volume: 155.8 cm3; (10)Surface Tension: 47.3 dyne/cm; (11)Density: 1.207 g/cm3; (12)Flash Point: 122.1 °C; (13)Enthalpy of Vaporization: 56.69 kJ/mol; (14)Boiling Point: 324.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000239 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C=O
(2)InChI: InChI=1S/C11H8OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
(3)InChIKey: UECDQUOWFRTJOH-UHFFFAOYSA-N