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CAS No.: | 56656-94-1 |
---|---|
Name: | 5-[(4-BROMOPHENYL)SULFANYL]-2-FURALDEHYDE |
Molecular Structure: | |
Formula: | C11H7BrO2S |
Molecular Weight: | 283.145 |
Synonyms: | 5-[(4-Bromophenyl)thio]-2-furaldehyde; |
Density: | 1.63 g/cm3 |
Melting Point: | 78-80 °C |
Boiling Point: | 420.9 °C at 760 mmHg |
Flash Point: | 208.3 °C |
PSA: | 55.51000 |
LogP: | 4.00580 |
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The 2-Furancarboxaldehyde, 5-[(4-bromophenyl)thio]-, with the CAS registry number 56656-94-1, is also known as 5-[(4-Bromophenyl)sulfanyl]furan-2-carbaldehyde. This chemical's molecular formula is C11H7BrO2S and molecular weight is 283.14. What's more, its IUPAC name is 5-(4-Bromophenyl)sulfanylfuran-2-carbaldehyde.
Physical properties about 2-Furancarboxaldehyde, 5-[(4-bromophenyl)thio]- are: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 710.39; (6)ACD/BCF (pH 7.4): 710.39; (7)ACD/KOC (pH 5.5): 3825.65; (8)ACD/KOC (pH 7.4): 3825.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.51 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 64.64 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 25.62×10-24 cm3; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 208.3 °C; (20)Enthalpy of Vaporization: 67.48 kJ/mol; (21)Boiling Point: 420.9 °C at 760 mmHg; (22)Vapour Pressure: 2.72E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(Sc1oc(cc1)C=O)cc2
(2) InChI: InChI=1/C11H7BrO2S/c12-8-1-4-10(5-2-8)15-11-6-3-9(7-13)14-11/h1-7H
(3) InChIKey: OPRPLUWSLMRQRM-UHFFFAOYAC