3,4,5-Trifluoro-2'-aminobiphenyl

C₁₂H₈F₃NCAS 915416-45-4223.20 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₈F₃N
Molar mass: 223.20 g/mol
Exact mass: 223.0609 Da
logP: 3.35Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction73.9% of notifiers
H319 Causes serious eye irritation73.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects73.9% of notifiers
H411 Toxic to aquatic life with long lasting effects26.1% of notifiers

Aggregated from 142 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

915416-45-4

SMILES

Nc1ccccc1-c1cc(F)c(F)c(F)c1

InChIKey

FTIKVBVUYPQUBF-UHFFFAOYSA-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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2-(3,4,5-Trifluorophenyl)aniline
[1,1′-Biphenyl]-2-amine, 3′,4′,5′-trifluoro-
3′,4′,5′-Trifluoro[1,1′-biphenyl]-2-amine
3′,4′,5′-Trifluorobiphenyl-2-ylamine
3,4,5-Trifluoro-2′-aminobiphenyl
3′,4′,5′-Trifluorobiphenyl-2-amine

Work with 3,4,5-Trifluoro-2'-aminobiphenyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminobiphenyl90-41-552 % similar 2,3-Difluoroaniline4519-40-848 % similar 2-Fluoroaniline348-54-948 % similar 2,3,4,5-Tetrafluoroaniline5580-80-345 % similar 3'-Trifluoromethylbiphenyl-2-ylamine365-06-045 % similar 2-Amino-4'-chlorobiphenyl1204-44-044 % similar 3,4,5-Trifluorobenzenamine163733-96-843 % similar 3-Chloro-2-fluorobenzenamine2106-04-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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