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1,3,4-Thiadiazol-2-amine,5-(4-fluorophenyl)-

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Name

1,3,4-Thiadiazol-2-amine,5-(4-fluorophenyl)-

EINECS N/A
CAS No. 942-70-1 Density 1.423 g/cm3
PSA 80.04000 LogP 2.50760
Solubility N/A Melting Point 238-243 °C
Formula C8H6FN3S Boiling Point 351.9 °C at 760 mmHg
Molecular Weight 195.22 Flash Point 166.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 942-70-1 (2-AMINO-5-(4-FLUOROPHENYL)-1 3 4-THIADI&) Hazard Symbols HarmfulXn
Synonyms

1,3,4-Thiadiazole,2-amino-5-(p-fluorophenyl)- (7CI,8CI);2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole;5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-amine;5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-ylamine;

Article Data 39

1,3,4-Thiadiazol-2-amine,5-(4-fluorophenyl)- Specification

The 1,3,4-Thiadiazol-2-amine,5-(4-fluorophenyl)-, with the CAS registry number 942-70-1, is also known as 2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole. It belongs to the product category of API intermediates. This chemical's molecular formula is C8H6FN3S and molecular weight is 195.2167. Its systematic name is called 5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Physical properties of 1,3,4-Thiadiazol-2-amine,5-(4-fluorophenyl)-: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.25; (3)ACD/LogD (pH 7.4): 2.25; (4)ACD/BCF (pH 5.5): 30.18; (5)ACD/BCF (pH 7.4): 30.2; (6)ACD/KOC (pH 5.5): 398.77; (7)ACD/KOC (pH 7.4): 399; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 49.64 cm3; (13)Molar Volume: 137.1 cm3; (14)Surface Tension: 62.1 dyne/cm; (15)Density: 1.423 g/cm3; (16)Flash Point: 166.6 °C; (17)Enthalpy of Vaporization: 59.67 kJ/mol; (18)Boiling Point: 351.9 °C at 760 mmHg; (19)Vapour Pressure: 3.98E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(c1nnc(s1)N)cc2
(2)InChI: InChI=1/C8H6FN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
(3)InChIKey: WRSVCKNLHZWSNJ-UHFFFAOYAT

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