2-Methoxy-4-(trifluoromethyl)pyridine - CAS 219715-34-1

Catalog:	BB017233
Product Name:	2-Methoxy-4-(trifluoromethyl)pyridine
CAS:	219715-34-1
Synonyms:	2-methoxy-4-(trifluoromethyl)pyridine; 2-methoxy-4-(trifluoromethyl)pyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methoxy-4-(trifluoromethyl)pyridine
Description:	2-Methoxy-4-(trifluoromethyl)pyridine (CAS# 219715-34-1) is a useful research chemical.
Molecular Weight:	177.12
Molecular Formula:	C7H6F3NO
Canonical SMILES:	COC1=NC=CC(=C1)C(F)(F)F
InChI:	InChI=1S/C7H6F3NO/c1-12-6-4-5(2-3-11-6)7(8,9)10/h2-4H,1H3
InChI Key:	BYGXVIBRFSQTPY-UHFFFAOYSA-N
Boiling Point:	172.9 °C at 760 mmHg
Density:	1.263 g/cm³
Appearance:	Yellowish liquid
LogP:	2.10900

Publication Number	Title	Priority Date
WO-2020139734-A1	Preparation of sulfonamide herbicide process intermediates	20181227
CN-113272277-A	Sulfonamide herbicide process intermediates preparation	20181227
US-2019119264-A1	Inhibitors of wdr5 protein-protein binding	20160301
CN-105636439-A	Herbicidal compounds	20131007
US-9108963-B2	Pyrazolopyridine, pyrazolopyrazine, pyrazolopyrimidine, pyrazolothiophene and pyrazolothiazole compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction	20100211

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Related Functional Groups

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P312, P303+P361+P353, P330, P370+P378, P391, P403+P235, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.04014830
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.04014830
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2