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| CAS No.: | 6030-36-0 |
|---|---|
| Name: | 4-METHYLTHIOPHENE-2-CARBOXALDEHYDE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C6H6OS |
| Molecular Weight: | 126.179 |
| Synonyms: | 4-Methylthiophene-2-aldehyde;4-Methyl-2-thiophenecarboxaldehyde; |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 214.7 °C at 760 mmHg |
| Flash Point: | 84.8 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 45.31000 |
| LogP: | 1.86900 |
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- Total:28 Page 1 of 1 1
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Specification
This chemical is called 2-Thiophenecarboxaldehyde, 4-methyl-, and its CAS registry number is 6030-36-0. With the molecular formula of C6H6OS, its molecular weight is 126.18. This chemical is harmful if swallowed.
Other characteristics of the 2-Thiophenecarboxaldehyde, 4-methyl- can be summarised as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.85; (6)ACD/BCF (pH 7.4): 7.85; (7)ACD/KOC (pH 5.5): 152.11; (8)ACD/KOC (pH 7.4): 152.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 36.21 cm3; (15)Molar Volume: 106.8 cm3; (16)Polarizability: 14.35×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 45.1 kJ/mol; (21)Boiling Point: 214.7 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25°C.
Uses of this chemical: The 2-Thiophenecarboxaldehyde, 4-methyl- could react with divinyl sulfone, and obtain the 1,4-bis-(4-methyl-2-thienyl)-1,4-butanedione. This reaction needs the reagent of thiazolium salt, AcONa, and the solvent of ethanol. The yield is 36 %.
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You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1scc(c1)C
2.InChI: InChI=1/C6H6OS/c1-5-2-6(3-7)8-4-5/h2-4H,1H3
3.InChIKey: HVXCGIPRXBJIRK-UHFFFAOYAO