3,4,5-Trifluoroaniline - CAS 163733-96-8

Catalog:	BB012032
Product Name:	3,4,5-Trifluoroaniline
CAS:	163733-96-8
Synonyms:	3,4,5-trifluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4,5-trifluoroaniline
Description:	3,4,5-Trifluoroaniline and other halogenated anilines have been used to study Cytochrome P450 2E1/2A6-selective inhibition on metabolic activation of dimethylnitrosamine in human liver microsomes.
Molecular Weight:	147.10
Molecular Formula:	C6H4F3N
Canonical SMILES:	C1=C(C=C(C(=C1F)F)F)N
InChI:	InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChI Key:	SZRDJHHKIJHJHQ-UHFFFAOYSA-N
Boiling Point:	200.4 ℃ at 760 mmHg
Purity:	98 %
Density:	1.409 g/cm³
MDL:	MFCD00083522
LogP:	2.26730

Publication Number	Title	Priority Date
CN-113200956-A	Sulfabenzamide derivative and preparation method and application thereof	20210518
CN-112827368-A	Anti-pollution reverse osmosis membrane and preparation method thereof	20210107
CN-112552213-A	Preparation method of high-purity alkylsulfonylfluoroaniline salt	20201224
WO-2021178362-A1	Hepatitis b capsid assembly modulators	20200303
CN-111303118-A	Compounds and their use in the treatment of hepatitis B	20200217

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
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1,2,3,5-Tetrafluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[312635-16-8]
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
[828277-81-2]
Ethyl ({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-YL}thio)acetate

GHS Hazard Statement:	H302 (18.75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6