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| CAS No.: | 15178-48-0 |
|---|---|
| Name: | 2-Fluoro-4-Mercapto-Aniline |
| Molecular Structure: | |
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|
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| Formula: | C6H6FNS |
| Molecular Weight: | 143.185 |
| Synonyms: | 2-Fluoro-4-mercaptoaniline; |
| Density: | 1.526 g/cm3 |
| Boiling Point: | 243.4 °C at 760 mmHg |
| Flash Point: | 101 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 64.82000 |
| LogP: | 2.27780 |
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Specification
The Benzenethiol,4-amino-3-fluoro-, with the CAS registry number 15178-48-0, is also known as 2-Fluoro-4-mercapto aniline. It belongs to the product category of Phenol & Thiophenol & Mercaptan. This chemical's molecular formula is C6H6FNS and molecular weight is 143.1819432. Its systematic name is called 4-amino-3-fluorobenzenethiol. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzenethiol,4-amino-3-fluoro-: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 7.1; (5)ACD/BCF (pH 7.4): 2.79; (6)ACD/KOC (pH 5.5): 127.63; (7)ACD/KOC (pH 7.4): 50.14; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 38.65 cm3; (13)Molar Volume: 108.5 cm3; (14)Surface Tension: 50 dyne/cm; (15)Density: 1.319 g/cm3; (16)Flash Point: 101 °C; (17)Enthalpy of Vaporization: 48.04 kJ/mol; (18)Boiling Point: 243.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0323 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(S)cc1F
(2)InChI: InChI=1/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
(3)InChIKey: MAOWDGRYXPTHRM-UHFFFAOYAG