4-Bromo-2-fluoro-6-nitrophenol - CAS 320-76-3

Catalog:	BB021157
Product Name:	4-Bromo-2-fluoro-6-nitrophenol
CAS:	320-76-3
Synonyms:	4-bromo-2-fluoro-6-nitrophenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-fluoro-6-nitrophenol
Description:	4-Bromo-2-fluoro-6-nitrophenol (CAS# 320-76-3) is used in preparation of Amino Pyrimidine compounds for inhibiting protein Tyrosine kinase activity.
Molecular Weight:	236.00
Molecular Formula:	C6H3BrFNO3
Canonical SMILES:	C1=C(C=C(C(=C1F)O)[N+](=O)[O-])Br
InChI:	InChI=1S/C6H3BrFNO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
InChI Key:	ACQVEWFMUBXEMR-UHFFFAOYSA-N
Boiling Point:	241.4 °C at 760 mmHg
Density:	1.965 g/cm³
MDL:	MFCD00013372
LogP:	2.72520

Publication Number	Title	Priority Date
WO-2021030623-A1	Heterocyclic compounds as kinase inhibitors	20190814
US-2019248774-A1	Heterocyclic compounds as kinase inhibitors	20180215
WO-2019161224-A1	Heterocyclic compounds as kinase inhibitors	20180215
AU-2019220746-A1	Heterocyclic compounds as kinase inhibitors	20180215
EP-3752491-A1	Heterocyclic compounds as kinase inhibitors	20180215

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Oxygen Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.92803
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.92803
Rotatable Bond Count:	0
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7