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| CAS No.: | 17821-75-9 |
|---|---|
| Name: | 5-FLUOROBENZO-[2,1,3]-THIADIAZOLE |
| Molecular Structure: | |
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| Formula: | C6H3FN2S |
| Molecular Weight: | 154.168 |
| Synonyms: | 5-FLUOROBENZO-[2,1,3]-THIADIAZOLE;5-FLUORO-2,1,3-BENZOTHIADIAZOLE;5-FLUORO[2,1,3]THIADIAZOLE;2,1,3-Benzothiadiazole,5-fluoro-;5-fluorobenzo[c][1,2,5]thiadiazole |
| Density: | 1.486 g/cm3 |
| Boiling Point: | 211.4 °C at 760 mmHg |
| Flash Point: | 81.7 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 54.02000 |
| LogP: | 1.83040 |
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Specification
The CAS registry number of 2,1,3-Benzothiadiazole,5-fluoro- is 17821-75-9. This chemical's molecular formula is C6H3FN2S and molecular weight is 154.16. Its IUPAC name is called 5-fluoro-2,1,3-benzothiadiazole. This Chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of this chemical are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4) ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.61; (6)ACD/BCF (pH 7.4): 20.61; (7)ACD/KOC (pH 5.5): 303.57; (8)ACD/KOC (pH 7.4): 303.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 38.65 cm3; (14)Molar Volume: 103.6 cm3; (15)Surface Tension: 60.9 dyne/cm; (16)Density: 1.486 g/cm3; (17)Flash Point: 81.7 °C; (18)Enthalpy of Vaporization: 42.95 kJ/mol; (19)Boiling Point: 211.4 °C at 760 mmHg; (20)Vapour Pressure: 0.265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2nsnc2c1
(2)InChI: InChI=1/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
(3)InChIKey: LNZHAYNBUMVVBK-UHFFFAOYAU