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CAS No.: | 518070-19-4 |
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Name: | 3-FLUORO-5-METHYLBENZOIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H7FO2 |
Molecular Weight: | 154.141 |
Synonyms: | 3-Fluoro-5-methylbenzoicacid; |
Density: | 1.259 g/cm3 |
Melting Point: | 141-143℃ |
Boiling Point: | 266.209 °C at 760 mmHg |
Flash Point: | 114.799 °C |
Solubility: | Soluble in water (25 deg C) |
Appearance: | white powder |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 1.83230 |
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This chemical is called Benzoic acid, 3-fluoro-5-methyl-, and its systematic name is 3-fluoro-5-methyl-benzoic acid. With the molecular formula of C8H7FO2, its molecular weight is 154.14. The CAS registry number of this chemical is 518070-19-4. Additionally, its product categories are Halide; Carboxylic Acid.
Other characteristics of the Benzoic acid, 3-fluoro-5-methyl- can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.058; (4)ACD/BCF (pH 5.5): 1.576; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.271; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 38.002 cm3; (14)Molar Volume: 122.448 cm3; (15)Polarizability: 15.065×10-24cm3; (16)Surface Tension: 43.337 dyne/cm; (17)Density: 1.259 g/cm3; (18)Flash Point: 114.799 °C; (19)Enthalpy of Vaporization: 53.263 kJ/mol; (20)Boiling Point: 266.209 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(cc(c1)F)C(=O)O
2.InChI: InChI=1/C8H7FO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
3.InChIKey: XPUFVYIUPYNLPD-UHFFFAOYAW