5-Bromo-2-fluorobenzoic acid supplier

Name
5-Bromo-2-fluorobenzoic acid
EINECS 604-519-9
CAS No. 146328-85-0
Article Data10
CAS DataBase
Density 1.789 g/cm³
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
Hazard Symbols Xn,Xi
Synonyms 5-Bromo-2-fluorobenzoicacid;2-fluoro-5-bromobenzoic acid;5-bromo-2-fluoro-benzoate;
PSA 37.30000
LogP 2.28640

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

Product Name

5-Bromo-2-fluorobenzoic acid

5-Bromo-2-fluorobenzoic acid Specification

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