2-bromo-5-fluorophenol

• ChemBase ID: 6912
• Molecular Formular: C6H4BrFO
• Molecular Mass: 190.9977632
• Monoisotopic Mass: 189.94295497
• SMILES: c1c(cc(c(c1)Br)O)F
• Canonical SMILES: Fc1ccc(c(c1)O)Br
• InChI: InChI=1S/C6H4BrFO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
• InChIKey: HUVAOAVBKOVPBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluorophenol
• IUPAC Traditional name: 2-bromo-5-fluorophenol
• Synonyms: 2-Bromo-5-fluorophenol; 2-Bromo-5-fluorophenol; 2-Bromo-5-fluorophenol 98%; 2-溴-5-氟苯酚

Database IDs

• CAS Number: 147460-41-1
• EC Number: 000-000-0
• MDL Number: MFCD00040939
• Beilstein Number: 7915214
• PubChem SID: 160970219; 24863735
• PubChem CID: 2724600

CALCULATED PROPERTIES

• Acid pKa: 7.198495
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5725899
• LogD (pH = 7.4): 2.1728427
• Log P: 2.581135
• Molar Refractivity: 35.8781 cm^3
• Polarizability: 13.671293 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 184-186°C; 184-186°C
• Flash Point: 188.6 °F; 87 °C; 87°C; 87°C(188°F)
• Density: 1.717; 1.717 g/mL at 25 °C(lit.)
• Refractive Index: 1.553; 1.554; 1.5540; n20/D 1.553(lit.)
• Hydrophobicity(logP): 2.602

Safety Information

• Storage Warning: Harmful/Irritant/Stench/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 23-26-36/37; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335-H227; H315-H319-H335
• GHS Precautionary statements: P210-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: BrC6H3(F)OH

DETAILS

Sigma Aldrich - 380350

Packaging
1, 5 g in glass bottle