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2-Chloro-5-fluorobenzoic acid

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Name

2-Chloro-5-fluorobenzoic acid

EINECS 216-430-9
CAS No. 2252-50-8 Density 1.477 g/cm3
PSA 37.30000 LogP 2.17730
Solubility N/A Melting Point 147-149 °C
Formula C7H4ClFO2 Boiling Point 275.3 °C at 760 mmHg
Molecular Weight 174.559 Flash Point 120.3 °C
Transport Information N/A Appearance white crystalline powder
Safety 22-24/25 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 2252-50-8 (2-Chloro-5-fluorobenzoic acid) Hazard Symbols IrritantXi
Synonyms

2-chloro-5-fluorobenzoic acid;5-fluoro-2-chlorobenzoic acid;2-chloro-5-fluoro benzoic acid;2-Chloro-5-Fluorobenzoic Acid 99%;2-chloro-5-fluoro-benzoic acid;Benzoic acid, 2-chloro-5-fluoro-;

Article Data 2

2-Chloro-5-fluorobenzoic acid Specification

The 2-Chloro-5-fluorobenzoic acid, with the CAS registry number 2252-50-8, belongs to the following product categories: Fine chemical & intermediates; Blocks; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Miscellaneous; Acids & Esters; Chlorine Compounds; Fluorine Compounds; Benzoic acid Series; Benzenes. And the molecular formula of this chemical is C7H4ClFO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of 2-Chloro-5-fluorobenzoic acid are as following: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 38.07 cm3; (13)Molar Volume: 118.1 cm3; (14)Polarizability: 15.09×10-24cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.477 g/cm3; (17)Flash Point: 120.3 °C; (18)Enthalpy of Vaporization: 54.27 kJ/mol; (19)Boiling Point: 275.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00249 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(F)ccc1Cl
(2)InChI: InChI=1/C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: MIZKCMSSYVUZKD-UHFFFAOYAJ

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