2,2,2-Trifluoroacetanilide - CAS 404-24-0

Catalog:	BB024496
Product Name:	2,2,2-Trifluoroacetanilide
CAS:	404-24-0
Synonyms:	2,2,2-trifluoro-N-phenylacetamide; 2,2,2-trifluoro-N-phenylacetamide

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-N-phenylacetamide
Description:	2,2,2-Trifluoroacetanilide (CAS# 404-24-0) is a useful research chemical.
Molecular Weight:	189.13
Molecular Formula:	C8H6F3NO
Canonical SMILES:	C1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI:	InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChI Key:	SAPQIENQEZURNZ-UHFFFAOYSA-N
Boiling Point:	243.5 °C at 760 mmHg
Density:	1.361 g/cm³
MDL:	MFCD00196027
LogP:	2.26040

Publication Number	Title	Priority Date
WO-2021016333-A1	Aryl sulfonamides as small molecule stat3 inhibitors	20190722
US-2020405840-A1	Chemical Synthesis of Oligosaccharides of Pseudomonas aeruginosa Serotype O11 O-antigen	20181218
CN-109369506-A	A kind of method of selective N-methylation second level amide	20181212
CN-108516957-A	A kind of preparation method of amides compound	20180503
WO-2019188835-A1	Polymetalloxane, composition, cured film, member, electronic component, fiber, binder for ceramic molding, cured film production method, and fiber production method	20180329

PMID	Publication Date	Title	Journal
22932951	20121028	Tuning the leaving group in 2-deoxy-2-fluoroglucoside results in improved activity-based retaining β-glucosidase probes	Chemical communications (Cambridge, England)
22838405	20120907	Studies on the selectivity between nickel-catalyzed 1,2-cis-2-amino glycosylation of hydroxyl groups of thioglycoside acceptors with C2-substituted benzylidene N-phenyl trifluoroacetimidates and intermolecular aglycon transfer of the sulfide group	The Journal of organic chemistry
22095469	20111216	Chemical synthesis of Helicobacter pylori lipopolysaccharide partial structures and their selective proinflammatory responses	Chemistry (Weinheim an der Bergstrasse, Germany)
21879137	20111021	Reinvestigation of the C5-acetamide sialic acid donor for α-selective sialylation: practical procedure under microfluidic conditions	Organic & biomolecular chemistry
19156655	20090406	Synthesis of a sialic acid containing complex-type N-glycan on a solid support	Chemistry, an Asian journal

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.0401483
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.0401483
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2