2,4,6-Trifluorobenzamide - CAS 82019-50-9

Catalog:	BB036743
Product Name:	2,4,6-Trifluorobenzamide
CAS:	82019-50-9
Synonyms:	2,4,6-trifluorobenzamide; 2,4,6-trifluorobenzamide

Technical Data

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Computed Properties

IUPAC Name:	2,4,6-trifluorobenzamide
Description:	2,4,6-Trifluorobenzamide (CAS# 82019-50-9 ) is a useful research chemical.
Molecular Weight:	175.11
Molecular Formula:	C7H4F3NO
Canonical SMILES:	C1=C(C=C(C(=C1F)C(=O)N)F)F
InChI:	InChI=1S/C7H4F3NO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H2,11,12)
InChI Key:	HZPJPMSPYIODNA-UHFFFAOYSA-N
Boiling Point:	149.4 °C at 760 mmHg
Density:	1.45 g/cm³
MDL:	MFCD00061199
LogP:	1.90310

Publication Number	Title	Priority Date
CN-111943930-A	Synthesis process of Lasmidinan	20200825
CN-111187252-A	Pyridine acyl azaspiro heptane derivatives and uses thereof	20191122
WO-2021007155-A1	Processes and intermediate for the large-scale preparation of 2,4,6-trifluoro-n-[6-(1-methyl-piperidine-4-carbonyl)-pyridin-2-yl]-benzamide hemisuccinate, and preparation of 2,4,6-trifluoro-n-[6-(1-methyl-piperidine-4-carbonyl)-pyridin-2-yl]-benzamide acetate	20190709
WO-2020038435-A1	Pyridinylmethylenepiperidine derivatives and uses thereof	20180824
AU-2019323450-A1	Pyridinylmethylenepiperidine derivatives and uses thereof	20180824

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.02449824
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.02449824
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4