2-(1H-Imidazol-1-yl)-5-(trifluoromethyl)aniline - CAS 380389-67-3

Catalog:	BB050033
Product Name:	2-(1H-Imidazol-1-yl)-5-(trifluoromethyl)aniline
CAS:	380389-67-3
Synonyms:	2-imidazolyl-5-(trifluoromethyl)phenylamine; Benzenamine, 2-(1H-imidazol-1-yl)-5-(trifluoromethyl)-

Technical Data

Computed Properties

IUPAC Name:	2-imidazol-1-yl-5-(trifluoromethyl)aniline
Description:	2-(1H-Imidazol-1-yl)-5-(trifluoromethyl)aniline (CAS# 380389-67-3 ) is a useful research chemical.
Molecular Weight:	227.19
Molecular Formula:	C10H8F3N3
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)N)N2C=CN=C2
InChI:	InChI=1S/C10H8F3N3/c11-10(12,13)7-1-2-9(8(14)5-7)16-4-3-15-6-16/h1-6H,14H2
InChI Key:	IEYJZLLRDTWHPD-UHFFFAOYSA-N
Boiling Point:	336.2 °C at 760 mmHg
Purity:	95 %
Density:	1.39 g/cm³

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Related Functional Groups

Amines and Anilines

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine

Arenes

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[605-02-7]
1-Phenylnaphthalene
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[1198396-39-2]
2-bromo-11,11-dimethyl-11H-Benzo[b]fluorene
[132089-38-4]
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Imidazoles

[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
[64038-58-0]
1-Cyclohexyl-1,3-dihydro-2H-imidazole-2-thione
[177760-04-2]
Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate
[944906-76-7]
Ethyl 4-bromo-1H-imidazole-5-carboxylate
[76182-29-1]
ethyl 5-chloro-1H-imidazole-4-carboxylate

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.06703175
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.06703175
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9