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2-Bromo-6-fluorobenzoic acid

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Name

2-Bromo-6-fluorobenzoic acid

EINECS 207-259-0
CAS No. 2252-37-1 Density 1.789 g/cm3
PSA 37.30000 LogP 2.28640
Solubility N/A Melting Point 153-155 °C
Formula C7H4BrFO2 Boiling Point 286.1 °C at 760 mmHg
Molecular Weight 219.01 Flash Point 126.8 °C
Transport Information N/A Appearance N/A
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2252-37-1 (2-Bromo-6-fluorobenzoic acid) Hazard Symbols IrritantXi
Synonyms

6-Bromo-2-fluorobenzoic acid;NSC 190302;2-Fluoro-6-bromobenzoic acid;AC1L70WY;Jsp004577;MolPort-000-152-032;CID302621;

Article Data 12

2-Bromo-6-fluorobenzoic acid Specification

The 2-Bromo-6-fluorobenzoic acid with CAS registry number of 2252-37-1 is also known as 6-Bromo-2-fluorobenzoic acid. The IUPAC name and product name are the same. It belongs to product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. In addition, the formula is C7H4BrFO2 and the molecular weight is 219.01.

Physical properties about 2-Bromo-6-fluorobenzoic acid are: (1)ACD/LogP: 2.10; (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: 26.3Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 40.86 cm3; (13)Molar Volume: 122.3 cm3; (14)Polarizability: 16.2×10-24cm3; (15)Surface Tension: 51 dyne/cm; (16)Density: 1.789 g/cm3; (17)Flash Point: 126.8 °C; (18)Enthalpy of Vaporization: 55.47 kJ/mol; (19)Boiling Point: 286.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00126 mmHg at 25 °C

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)F
2. InChI: InChI=1S/C7H4BrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
3. InChIKey: MDAZJVAIZVUWDE-UHFFFAOYSA-N

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