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| CAS No.: | 19163-21-4 |
|---|---|
| Name: | 5-PHENYL-2-THIOPHENECARBALDEHYDE |
| Article Data: | 62 |
| Molecular Structure: | |
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| Formula: | C11H8OS |
| Molecular Weight: | 188.25 |
| Synonyms: | 2-Formyl-5-phenylthiophene;2-Phenyl-5-thiophenecarboxaldehyde;5-Formyl-2-phenylthiophene;5-Phenyl-2-thiophenecarboxaldehyde;5-Phenylthiophene-2-aldehyde;5-Phenylthiophene-2-carbaldehyde; |
| Density: | 1.207 g/cm3 |
| Melting Point: | 92-95 °C |
| Boiling Point: | 340 °C at 760 mmHg |
| Flash Point: | 127 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 45.31000 |
| LogP: | 3.22760 |
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Specification
The 2-Thiophenecarboxaldehyde,5-phenyl-, with the CAS registry number 19163-21-4, is also known as 2-Formyl-5-phenylthiophene. It belongs to the product categories of Carbonyl Compounds; Heterocycles; Heterocyclic Compounds; 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 and its IUPAC name are the same which is called 5-Phenylthiophene-2-carbaldehyde. It should be preserved hermetically and put in a cool, dry place. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes.
Physical properties about 2-Thiophenecarboxaldehyde,5-phenyl-: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 154.84; (6)ACD/BCF (pH 7.4): 154.84; (7)ACD/KOC (pH 5.5): 1285.65; (8)ACD/KOC (pH 7.4): 1285.65; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 55.98 cm3; (15)Molar Volume: 155.8 cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Density: 1.207 g/cm3; (18)Flash Point: 127 °C; (19)Enthalpy of Vaporization: 58.35 kJ/mol; (20)Boiling Point: 340 °C at 760 mmHg; (21)Vapour Pressure: 8.84E-05 mmHg at 25 °C; (22)Melting point: 92-95 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2sc(c1ccccc1)cc2
(2) InChI: InChI=1/C11H8OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: APWHJDHTLFVWSQ-UHFFFAOYAQ