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5-Fluoro-2,3-thiophenedicarboxaldehyde

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Name

5-Fluoro-2,3-thiophenedicarboxaldehyde

EINECS N/A
CAS No. 1015071-22-3 Density 1.486 g/cm3
PSA 62.38000 LogP 1.51220
Solubility N/A Melting Point 41-44°C
Formula C6H3FO2S Boiling Point 297.34 °C at 760 mmHg
Molecular Weight 158.15 Flash Point 133.627 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 1015071-22-3 (5-Fluoro-2,3-thiophenedicarboxaldehyde) Hazard Symbols Xn
Synonyms

2,3-Thiophenedicarboxaldehyde, 5-fluoro-;5-Fluoro-thiophene-2,3-dicarbaldehyde;5-Fluorothiophene-2,3-dicarbaldehyde;

 

5-Fluoro-2,3-thiophenedicarboxaldehyde Specification

5-Fluoro-2,3-thiophenedicarboxaldehyde is an organic compound with the formula C6H3FO2S, and its systematic name is the same with the product name. With the CAS registry number 1015071-22-3, it is also named as 5-Fluoro-thiophene-2,3-dicarbaldehyde. In addition, the molecular weight is 158.15. 

Physical properties of 5-Fluoro-2,3-thiophenedicarboxaldehyde are: (1)ACD/LogP: 0.335; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.26; (8)ACD/KOC (pH 7.4): 36.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.38 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 38.137 cm3; (15)Molar Volume: 106.454 cm3; (16)Polarizability: 15.119×10-24cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.486 g/cm3; (19)Flash Point: 133.627 °C; (20)Boiling Point: 297.34 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(sc1F)C=O)C=O
(2)Std. InChI: InChI=1S/C6H3FO2S/c7-6-1-4(2-8)5(3-9)10-6/h1-3H
(3)Std. InChIKey: UHZWVDHHMHBMDX-UHFFFAOYSA-N 

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