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5-Bromo-2-(difluoromethoxy)pyridine

5-Bromo-2-(difluoromethoxy)pyridine - CAS 899452-26-7

Catalog:	BB039708
Product Name:	5-Bromo-2-(difluoromethoxy)pyridine
CAS:	899452-26-7
Synonyms:	5-bromo-2-(difluoromethoxy)pyridine; 5-bromo-2-(difluoromethoxy)pyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2-(difluoromethoxy)pyridine
Description:	5-Bromo-2-(difluoromethoxy)pyridine (CAS# 899452-26-7) is a useful research chemical.
Molecular Weight:	224.00
Molecular Formula:	C6H4BrF2NO
Canonical SMILES:	C1=CC(=NC=C1Br)OC(F)F
InChI:	InChI=1S/C6H4BrF2NO/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3,6H
InChI Key:	TUKUVGKMNSUOJF-UHFFFAOYSA-N
Boiling Point:	193.5 °C at 760 mmHg
Density:	1.67 g/cm³
Appearance:	Liquid
MDL:	MFCD11977440
LogP:	2.44550

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
WO-2020108579-A1	Amino-substituted pyridone derivative, preparation method therefor, and pharmaceutical use thereof	20181128
WO-2020097265-A1	Pyridazinone compounds and uses thereof	20181106
CN-113272014-A	Pyridazinone compound and use thereof	20181106
EP-3877052-A1	Pyridazinone compounds and uses thereof	20181106

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.94443
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.94443
Rotatable Bond Count:	2
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8