Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xn,Xi | |
Synonyms |
5-Bromo-2-fluorobenzoicacid;2-fluoro-5-bromobenzoic acid;5-bromo-2-fluoro-benzoate; |
Article Data | 10 |
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