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| CAS No.: | 157730-74-0 |
|---|---|
| Name: | 4-(3-THIENYL)BENZALDEHYDE |
| Molecular Structure: | |
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| Formula: | C11H8OS |
| Molecular Weight: | 188.25 |
| Synonyms: | 4-(3-Thienyl)benzaldehyde; |
| Density: | 1.207 g/cm3 |
| Melting Point: | 98-100 °C |
| Boiling Point: | 298.1 °C at 760 mmHg |
| Flash Point: | 113.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 45.31000 |
| LogP: | 3.22760 |
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Specification
The Benzaldehyde,4-(3-thienyl)- is an organic compound with the formula C11H8OS. The systematic name of this chemical is 4-Thiophen-3-ylbenzaldehyde. With the CAS registry number 157730-74-0, it is also named as 4-(3-Thienyl)benzenecarbaldehyde. Besides, its molecular weight is 188.25.
Physical properties about Benzaldehyde,4-(3-thienyl)- are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 271.7; (5)ACD/BCF (pH 7.4): 271.7; (6)ACD/KOC (pH 5.5): 1922.76; (7)ACD/KOC (pH 7.4): 1922.76; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.637; (12)Molar Refractivity: 55.98 cm3; (13)Molar Volume: 155.8 cm3; (14)Polarizability: 22.19×10-24 cm3; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.207 g/cm3; (17)Flash Point: 113.4 °C; (18)Enthalpy of Vaporization: 53.8 kJ/mol; (19)Boiling Point: 298.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0013 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H8OS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-8H
(2)InChIKey: MGPZYZLJJSEFLU-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C11H8OS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-8H
(4)Std. InChIKey: MGPZYZLJJSEFLU-UHFFFAOYSA-N