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2-Bromo-4-fluorobenzoic acid

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Name

2-Bromo-4-fluorobenzoic acid

EINECS -0
CAS No. 1006-41-3 Density 1.79 g/cm3
PSA 37.30000 LogP 2.28640
Solubility Soluble in water and methanol. Melting Point 172-176 °C(lit.)
Formula C7H4BrFO2 Boiling Point 294.257 °C at 760 mmHg
Molecular Weight 219.01 Flash Point 131.762 °C
Transport Information N/A Appearance white fine powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1006-41-3 (2-Bromo-4-fluorobenzoic acid) Hazard Symbols IrritantXi
Synonyms

2-Bromo-4-fluorobenzoicacid;4-Fluoro-2-bromobenzoic acid;2-Bromo-4-fluorobenzoic acid;

Article Data 9

2-Bromo-4-fluorobenzoic acid Specification

The 2-Bromo-4-fluorobenzoic acid, with the CAS registry number 1006-41-3, is also known as 4-Fluoro-2-bromobenzoic acid. It belongs to the product categories of Fluorin-contained Benzoic acid series; Fine Chemical & Intermediates; Bromides; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Fluorobenzene; Acids & Esters; Bromine Compounds; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C7H4BrFO2 and molecular weight is 219.01. What's more, its systematic name is 2-Bromo-4-fluorobenzoic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of 2-Bromo-4-fluorobenzoic acid are: (1)ACD/LogP: 2.314; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 40.867 cm3; (15)Molar Volume: 122.357 cm3; (16)Polarizability: 16.201×10-24cm3; (17)Surface Tension: 51.0 dyne/cm; (18)Density: 1.79 g/cm3; (19)Flash Point: 131.762 °C; (20)Enthalpy of Vaporization: 56.382 kJ/mol; (21)Boiling Point: 294.257 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(F)cc1Br
(2)Std. InChI: InChI=1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)Std. InChIKey: RRKPMLZRLKTDQV-UHFFFAOYSA-N 

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