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2-Fluoro-4-methylbenzoic acid

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2-Fluoro-4-methylbenzoic acid

EINECS 212-233-7
CAS No. 7697-23-6 Density 1.258 g/cm3
PSA 37.30000 LogP 1.83230
Solubility N/A Melting Point 186-189 °C
Formula C8H7FO2 Boiling Point 271.7 °C at 760 mmHg
Molecular Weight 154.141 Flash Point 118.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7697-23-6 (2-Fluoro-4-methylbenzoic acid) Hazard Symbols IrritantXi

2-Fluoro-4-MethylbenzoicAcid;2-Fluoro-4-methyl benzoic acid;2-Fluoro-p-toluic acid;Benzoic acid, 2-fluoro-4-methyl-;

Article Data 6

2-Fluoro-4-methylbenzoic acid Specification

The 2-Fluoro-4-methylbenzoic acid, with the CAS registry number 7697-23-6, is also called 2-Fluoro-p-toluic acid. It belongs to the following product categories: Fluorin-contained Benzoic acid series; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of this chemical is C8H7FO2.

The physical properties of 2-Fluoro-4-methylbenzoic acid are as following: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 38 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 15.06×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.258 g/cm3; (19)Flash Point: 118.1 °C; (20)Enthalpy of Vaporization: 53.87 kJ/mol; (21)Boiling Point: 271.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0031 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1F)C
(2)InChI: InChI=1/C8H7FO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

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