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5-Bromo-2-fluorophenol

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Name

5-Bromo-2-fluorophenol

EINECS 207-168-6
CAS No. 112204-58-7 Density 1.511 g/cm3
PSA 20.23000 LogP 2.29380
Solubility N/A Melting Point 126-131°C(lit.)
Formula C6H4BrFO Boiling Point 205.8 °C at 760 mmHg
Molecular Weight 191 Flash Point 78.2 °C
Transport Information N/A Appearance white like or light brown crystalline powder
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 112204-58-7 (5-Bromo-2-fluorophenol) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-5-bromophenol;4-Bromo-1-fluoro-2-hydroxybenzene;

Article Data 11

5-Bromo-2-fluorophenol Specification

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

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