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CAS No.: | 112204-58-7 |
---|---|
Name: | 5-Bromo-2-fluorophenol |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H4BrFO |
Molecular Weight: | 191 |
Synonyms: | 2-Fluoro-5-bromophenol;4-Bromo-1-fluoro-2-hydroxybenzene; |
EINECS: | 207-168-6 |
Density: | 1.511 g/cm3 |
Melting Point: | 126-131°C(lit.) |
Boiling Point: | 205.8 °C at 760 mmHg |
Flash Point: | 78.2 °C |
Appearance: | white like or light brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 20.23000 |
LogP: | 2.29380 |
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The Phenol,5-bromo-2-fluoro- with CAS registry number of 112204-58-7 is also known as 4-Bromo-1-fluoro-2-hydroxybenzene. The IUPAC name is 5-Bromo-2-fluorophenol. It belongs to product categories of Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Fluorobenzene. In addition, the formula is C6H4BrFO and the molecular weight is 191.00. What's more, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Phenol,5-bromo-2-fluoro- are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 77.62; (5)ACD/BCF (pH 7.4): 53.75; (6)ACD/KOC (pH 5.5): 782.95; (7)ACD/KOC (pH 7.4): 542.21; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 35.81 cm3; (13)Molar Volume: 108.2 cm3; (14)Surface Tension: 44.6 dyne/cm; (15)Density: 1.764 g/cm3; (16)Flash Point: 78.2 °C; (17)Enthalpy of Vaporization: 46 kJ/mol; (18)Boiling Point: 205.8 °C at 760 mmHg; (19)Vapour Pressure: 0.172 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1Br)O)F
2. InChI: InChI=1S/C6H4BrFO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
3. InChIKey: YPTHSYKJDRMAJY-UHFFFAOYSA-N