2,4,6-Trifluoroaniline - CAS 363-81-5

Catalog:	BB022951
Product Name:	2,4,6-Trifluoroaniline
CAS:	363-81-5
Synonyms:	2,4,6-trifluoroaniline

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,4,6-trifluoroaniline
Description:	2,4,6-Trifluoroaniline (CAS# 363-81-5) is a useful research chemical compound.
Molecular Weight:	147.10
Molecular Formula:	C6H4F3N
Canonical SMILES:	C1=C(C=C(C(=C1F)N)F)F
InChI:	InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChI Key:	BJSVKBGQDHUBHZ-UHFFFAOYSA-N
Boiling Point:	57 °C (22 mmHg)
Melting Point:	33-37 °C
Purity:	98 %
Density:	5722
Appearance:	Colorless to light grey crystals
Storage:	Flammables area
MDL:	MFCD00007650
LogP:	2.26730

Publication Number	Title	Priority Date
US-2021253871-A1	Corrosion-resistant conductive structure and corrosion-resistant coating composition	20200214
EP-3798225-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20190926
EP-3771687-A1	Reversible photo-controlled frac nanopores, modified frac monomers, methods for preparing the same, and uses thereof	20190730
WO-2021018820-A1	Heteroaryl-substituted pyrazolo-pyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20190729
KR-20210012936-A	Novel compound and organic light emitting device comprising the same	20190724

PMID	Publication Date	Title	Journal
19303353	20090715	FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21581096	20081031	2,4,6-Trifluoro-aniline	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]
2,4-Difluorotoluene

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]
Ethyl 4-fluorobenzoate
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine

GHS Hazard Statement:	H228 (97.92%): Flammable solid [Danger Flammable solids]; H302 (93.75%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (93.75%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (97.92%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (85.42%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (14.58%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H373 (10.42%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement:	P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.02958362
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.02958362
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5