2-Bromo-4-fluorophenol - CAS 496-69-5

Catalog:	BB026779
Product Name:	2-Bromo-4-fluorophenol
CAS:	496-69-5
Synonyms:	2-bromo-4-fluorophenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-fluorophenol
Description:	2-Bromo-4-fluorophenol (CAS# 496-69-5) is a useful research chemical.
Molecular Weight:	191.00
Molecular Formula:	C6H4BrFO
Canonical SMILES:	C1=CC(=C(C=C1F)Br)O
InChI:	InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChI Key:	MEYRABVEYCFHHB-UHFFFAOYSA-N
Boiling Point:	123-125 °C (50 mmHg)
Purity:	98 %
Density:	1.744 g/cm³
Appearance:	Light brown to brown crystalline solid
MDL:	MFCD00010614
LogP:	2.29380

Publication Number	Title	Priority Date
WO-2021206955-A1	Macrocyclic compounds as kinases inhibitors and uses thereof	20200406
WO-2021202254-A1	Factor xi activation inhibitors	20200401
WO-2021173345-A1	Non-cryogenic synthesis of heteroatom-bridge precursors of metal-ligand complex catalysts	20200224
WO-2021150574-A1	Sulfonimidamide compounds as nlrp3 modulators	20200122
CN-113004233-A	Compound for preparing PRC2 inhibitor, preparation method and application thereof	20191218

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Oxygen Compounds

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GHS Hazard Statement:	H302 (94.12%): 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

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