2-(3,4,5-Trifluorophenyl)aniline - CAS 915416-45-4

Catalog:	BB040237
Product Name:	2-(3,4,5-Trifluorophenyl)aniline
CAS:	915416-45-4
Synonyms:	2-(3,4,5-trifluorophenyl)aniline; 2-(3,4,5-trifluorophenyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	2-(3,4,5-trifluorophenyl)aniline
Description:	2-(3,4,5-Trifluorophenyl)aniline (CAS# 915416-45-4) is a building block used in various chemical synthesis.
Molecular Weight:	223.19
Molecular Formula:	C12H8F3N
Canonical SMILES:	C1=CC=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)N
InChI:	InChI=1S/C12H8F3N/c13-9-5-7(6-10(14)12(9)15)8-3-1-2-4-11(8)16/h1-6H,16H2
InChI Key:	FTIKVBVUYPQUBF-UHFFFAOYSA-N
LogP:	3.93430

Publication Number	Title	Priority Date
WO-2021122645-A1	Pesticidally active azole-amide compounds	20191220
WO-2021110891-A1	Pesticidally active fused bicyclic heteroaromatic amino compounds	20191204
WO-2021083936-A1	Pesticidally active fused bicyclic heteroaromatic compounds	20191101
WO-2021074309-A1	1-(3-quinolyl)-3,4-dihydroisoquinoline derivatives as fungicides for combating specific phytopathogens	20191016
WO-2021074311-A1	1-(3-quinolyl)-1,2,3,4-tetrahydroisoquinoline derivatives as fungicides for combating specific phytopathogens	20191016

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Related Functional Groups

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GHS Hazard Statement:	H317 (72.73%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.06088375
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.06088375
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1