2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole supplier

Name
2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole
EINECS
CAS No. 184839-29-0
Density 1.373 g/cm³
Solubility
Melting Point
Formula C₁₁H₆F₂N₂S
Boiling Point 353.907 °C at 760 mmHg
Molecular Weight 236.245
Flash Point 167.837 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole;
PSA 64.92000
LogP 3.15438

2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole Specification

The 2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole, with the CAS registry number 184839-29-0, has the molecular formula C₁₁H₆F₂N₂S, besides, its molecular weight is 236.24. Its systematic name is called [4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetonitrile.

Physical properties of 2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 220; (6)ACD/BCF (pH 7.4): 220; (7)ACD/KOC (pH 5.5): 1652; (8)ACD/KOC (pH 7.4): 1652; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 56.771 cm³; (14)Molar Volume: 172.041 cm³; (15)Surface Tension: 49.823 dyne/cm; (16)Density: 1.373 g/cm³; (17)Flash Point: 167.837 °C; (18)Enthalpy of Vaporization: 59.889 kJ/mol; (19)Boiling Point: 353.907 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc2nc(c1c(F)cccc1F)cs2
(2)InChI: InChI=1/C11H6F2N2S/c12-7-2-1-3-8(13)11(7)9-6-16-10(15-9)4-5-14/h1-3,6H,4H2
(3)InChIKey: DDMZUCDCCOSIMM-UHFFFAOYAD

Product Name

2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole

2-Cyanomethyl-4-(2,6-difluorophenyl)thiazole Specification

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