4-Thiazolecarboxaldehyde,2-(4-fluorophenyl)- supplier

Name
2-(4-FLUORO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
EINECS
CAS No. 875858-80-3
Article Data4
CAS DataBase
Density 1.352g/cm³
Solubility
Melting Point
Formula C₁₀H₆FNOS
Boiling Point 346.145 °C at 760 mmHg
Molecular Weight 207.228
Flash Point 163.143 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-FLUOROPHENYL)-1,3-THIAZOLE-4-CARBALDEHYDE;2-(4-FLUORO-PHENYL)-THIAZOLE-4-CARBALDEHYDE;4-Thiazolecarboxaldehyde, 2-(4-fluorophenyl)-
PSA 58.20000
LogP 2.76170

4-Thiazolecarboxaldehyde,2-(4-fluorophenyl)- Specification

The 4-Thiazolecarboxaldehyde,2-(4-fluorophenyl)-, with CAS registry number 875858-80-3, has the systematic name of 2-(4-fluorophenyl)thiazole-4-carbaldehyde. Besides this, it is also called 2-(4-Fluorophenyl)-1,3-thiazole-4-carbaldehyde. And the chemical formula of this chemical is C₁₀H₆FNOS.

Physical properties of 4-Thiazolecarboxaldehyde,2-(4-fluorophenyl)-: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.989; (4)ACD/LogD (pH 7.4): 2.989; (5)ACD/BCF (pH 5.5): 110.023; (6)ACD/BCF (pH 7.4): 110.024; (7)ACD/KOC (pH 5.5): 1006.71; (8)ACD/KOC (pH 7.4): 1006.713; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 54.067 cm³; (15)Molar Volume: 153.297 cm³; (16)Polarizability: 21.434×10^-24cm³; (17)Surface Tension: 51.229 dyne/cm; (18)Density: 1.352 g/cm³; (19)Flash Point: 163.143 °C; (20)Enthalpy of Vaporization: 59.029 kJ/mol; (21)Boiling Point: 346.145 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2nc(cs2)C=O)F
(2)InChI: InChI=1/C10H6FNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
(3)InChIKey: JICLYSLZMLTUSP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H6FNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
(5)Std. InChIKey: JICLYSLZMLTUSP-UHFFFAOYSA-N

Product Name

2-(4-FLUORO-PHENYL)-THIAZOLE-4-CARBALDEHYDE

4-Thiazolecarboxaldehyde,2-(4-fluorophenyl)- Specification

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