2,3,4,5,6-Pentafluoroaniline - CAS 771-60-8

Catalog:	BB035845
Product Name:	2,3,4,5,6-Pentafluoroaniline
CAS:	771-60-8
Synonyms:	2,3,4,5,6-pentafluoroaniline

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,4,5,6-pentafluoroaniline
Description:	2,3,4,5,6-Pentafluoroaniline (CAS# 771-60-8) is a useful research chemical.
Molecular Weight:	183.08
Molecular Formula:	C6H2F5N
Canonical SMILES:	C1(=C(C(=C(C(=C1F)F)F)F)F)N
InChI:	InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChI Key:	NOXLGCOSAFGMDV-UHFFFAOYSA-N
Boiling Point:	153 °C
Melting Point:	33-38 °C
Purity:	95 %
Density:	1.744 g/cm³
Appearance:	White crystals.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00007643
LogP:	2.54550

Publication Number	Title	Priority Date
WO-2021099842-A1	Pentafluorobenzenesulfonamide derivatives and uses thereof	20191122
WO-2021118782-A2	Polymeric compounds including an acceptor dye and donor luminophore	20191120
US-2021147706-A1	Conductive structure having self-assembled protective layer and self-assembled coating composition	20191114
WO-2021015522-A1	Novel compound and organic light emitting device comprising same	20190724
WO-2020241665-A1	Macrophage imaging agent	20190531

PMID	Publication Date	Title	Journal
22364551	20120801	Pentafluorophenylammonium triflate as a mild and new organocatalyst for acylation of alcohols, phenols, and amines under solvent-free condition	Combinatorial chemistry & high throughput screening
21589472	20101113	Low-temperature redetermination of 1,3-bis-(penta-fluoro-phen-yl)triazene	Acta crystallographica. Section E, Structure reports online
19436908	20090528	Three novel anions based on pentafluorophenyl amine combined with two new synthetic strategies for the synthesis of highly lipophilic ionic liquids	Chemical communications (Cambridge, England)
19281257	20090420	Proton-transfer and H2-elimination reactions of trimethylamine alane: role of dihydrogen bonding and Lewis acid-base interactions	Inorganic chemistry
21581096	20081031	2,4,6-Trifluoro-aniline	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[351-28-0]
3'-Fluoroacetanilide
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[451-46-7]
Ethyl 4-fluorobenzoate

GHS Hazard Statement:	H302 (12.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.01073988
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.01073988
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7