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CAS No.: | 496-69-5 |
---|---|
Name: | 2-Bromo-4-fluorophenol |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H4BrFO |
Molecular Weight: | 191 |
Synonyms: | 2-BroMo-4-fluorophenol;5-fluorobiphenyl-2-ol;2-Brom-4-fluor-phenol;2-bromo-4-fluoro-phenol;4-fluoro-2-bromophenol; |
Density: | 1.764 g/cm3 |
Melting Point: | 43-45 ºC |
Boiling Point: | 260.6 ºC at 760 mmHg |
Flash Point: | 85 ºC |
Appearance: | light brown to brown crystalline solid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 3276 |
PSA: | 20.23000 |
LogP: | 2.29380 |
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The 2-Bromo-4-fluorophenol, with the CAS registry number 496-69-5, is also known as Phenol, 2-bromo-4-fluoro-. It belongs to the product categories of Aromatic Phenols; Fluorobenzene; Phenol & Thiophenol & Mercaptan; API Intermediates; Bromine Compounds; Fluorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C6H4BrFO and molecular weight is 191.00. What's more, its IUPAC name is the same with its product name. It should be stored in a cool and dry place.
Physical properties about 2-Bromo-4-fluorophenol are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 72.17; (6)ACD/BCF (pH 7.4): 66.21; (7)ACD/KOC (pH 5.5): 744.19; (8)ACD/KOC (pH 7.4): 682.75; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.81 cm3; (15)Molar Volume: 108.2 cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.764 g/cm3; (18)Flash Point: 85 °C; (19)Enthalpy of Vaporization: 51.84 kJ/mol; (20)Boiling Point: 260.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00746 mmHg at 25 °C.
Uses of 2-Bromo-4-fluorophenol: it is used to produce other chemicals. For example, it can react with 2-Bromo-5-nitro-thiophene to get 2-(2-Bromo-4-fluoro-phenoxy)-5-nitro-thiophene. The reaction occurs with reagent K2CO3 and solvent dimethylformamide at temperature of 70 °C. The reaction time is 5 hours. The yield is 100 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(Br)c(O)cc1
(2) InChI: InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
(3) InChIKey: MEYRABVEYCFHHB-UHFFFAOYSA-N