4-Bromo-2-fluorophenol - CAS 2105-94-4
Catalog:
BB016574
Product Name:
4-Bromo-2-fluorophenol
CAS:
2105-94-4
Synonyms:
Phenol, 4-bromo-2-fluoro-; 2-Fluoro-4-bromophenol; 3-Fluoro-4-hydroxybromobenzene; p-Bromo-o-fluorophenol
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BB016574
500 g
$198
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Related CAS: 154868-20-9 (monosodium salt)
IUPAC Name: 4-bromo-2-fluorophenol
Molecular Weight: 191.00
Molecular Formula: C6H4BrFO
Canonical SMILES: C1=CC(=C(C=C1Br)F)O
InChI: InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChI Key: RYVOZMPTISNBDB-UHFFFAOYSA-N
Boiling Point: 64°C at 7 Torr
Purity: 95%
Density: 1.764±0.06 g/cm3
Appearance: Clear Colorless to Brown Liquid
Storage: Store at RT under inert atmosphere
MDL: MFCD00011722
LogP: 2.29380
Refractive Index: 1.57
GHS Hazard Statement: H302 (14.89%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
AU-2021102623-A4 Method for rapidly screening substances of very high concern (svhcs) in surface water and soil 20210528
CN-112479884-A Polymerizable compound and application thereof 20201125
CN-111607411-A Difluoromethoxyl liquid crystal compound containing benzoxazole heterocycle, and synthesis method and application thereof 20200617
CN-111380983-A Rapid screening method for high-concern chemicals in surface water and soil 20200513
CN-113493694-A Compound, liquid crystal composition and liquid crystal display element 20200401
PMID Publication Date Title Journal
22095853 20111201 1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling? Magnetic resonance in chemistry : MRC
Complexity: 99.1
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 189.94296
Formal Charge: 0
Heavy Atom Count: 9
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 189.94296
Rotatable Bond Count: 0
Topological Polar Surface Area: 20.2 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.6
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