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Cas Database |
| Name |
2-Fluoro-5-(methylthio)benzoic acid |
EINECS | N/A |
| CAS No. | 57318-98-6 | Density | 1.36 g/cm3 |
| PSA | 62.60000 | LogP | 2.24580 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H7FO2S | Boiling Point | 313.3 °C at 760 mmHg |
| Molecular Weight | 186.207 | Flash Point | 143.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Fluoro-5-methylsulfanylbenzoicacid;2-Fluoro-5-(methylthio)benzoicacid;2-Fluoro-5-methanesulfanylbenzoic acid; |
Article Data | 5 |
2-Fluoro-5-(methylthio)benzoic acid Specification
The Benzoic acid,2-fluoro-5-(methylthio)-, also known as 2-Fluoro-5-(methylthio)benzoic acid, is the organic compound with the formula C8H7FO2S. With the CAS registry number 57318-98-6, its systematic name is 2-fluoro-5-(methylsulfanyl)benzoic acid.
Physical properties of Benzoic acid,2-fluoro-5-(methylthio)-: (1)ACD/LogP: 2.22; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.87; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.587; (10)Molar Refractivity: 45.78 cm3; (11)Molar Volume: 136 cm3; (12)Surface Tension: 51.1 dyne/cm; (13)Density: 1.36 g/cm3; (14)Flash Point: 143.3 °C; (15)Enthalpy of Vaporization: 58.53 kJ/mol; (16)Boiling Point: 313.3 °C at 760 mmHg; (17)Vapour Pressure: 0.000213 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(SC)cc1C(O)=O
(2)InChI: InChI=1/C8H7FO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: RLUKYSZMWGKZMQ-UHFFFAOYAJ
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