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5-Bromo-2-fluorobenzoic acid

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Name

5-Bromo-2-fluorobenzoic acid

EINECS 604-519-9
CAS No. 146328-85-0 Density 1.789 g/cm3
PSA 37.30000 LogP 2.28640
Solubility Slightly soluble in water. Melting Point 141-145 °C(lit.)
Formula C7H4BrFO2 Boiling Point 296.5 °C at 760 mmHg
Molecular Weight 219.01 Flash Point 133.1 °C
Transport Information UN 2811 6.1/PG 3 Appearance white solid
Safety 26 Risk Codes 22
Molecular Structure Molecular Structure of 146328-85-0 (5-Bromo-2-fluorobenzoic acid) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

5-Bromo-2-fluorobenzoicacid;2-fluoro-5-bromobenzoic acid;5-bromo-2-fluoro-benzoate;

Article Data 10

5-Bromo-2-fluorobenzoic acid Specification

The 5-Bromo-2-fluorobenzoic acid, with the CAS registry number 146328-85-0, belongs to the following product categories: Fluorin-contained Benzoic acid series; Blocks; Bromides; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Miscellaneous; Acids & Esters; Bromine Compounds; Fluorine Compounds; C7; Carbonyl Compounds; Carboxylic Acids; Benzoic acid series. And the molecular formula of this chemical is C7H4BrFO2. What's more, it is harmful if swallowed, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

The physical properties of 5-Bromo-2-fluorobenzoic acid are as following: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.94; (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: 1.582; (14)Molar Refractivity: 40.86 cm3; (15)Molar Volume: 122.3 cm3; (16)Polarizability: 16.2×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.789 g/cm3; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 56.63 kJ/mol; (21)Boiling Point: 296.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000644 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)O)cc(Br)cc1
(2)InChI: InChI=1/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: PEXAZYDITWXYNJ-UHFFFAOYAL

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