4′-Fluoro[1,1′-biphenyl]-4-amine

C₁₂H₁₀FNCAS 324-93-6187.22 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₂H₁₀FN
Molar mass: 187.22 g/mol
Exact mass: 187.0797 Da
Melting point: 120 °C
logP: 3.07Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H350 May cause cancer33.3% of notifiers
H351 Suspected of causing cancer33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

324-93-6

SMILES

Nc1ccc(-c2ccc(F)cc2)cc1

InChIKey

HTRVALPKPVGOSZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2

Weigh it out

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

Names and synonyms

11 names

[1,1′-Biphenyl]-4-amine, 4′-fluoro-
4-Biphenylamine, 4′-fluoro-
4-(p-Fluorophenyl)aniline
4-(4-Fluorophenyl)aniline
4-Amino-4′-fluorobiphenyl
4′-Fluoro-4-aminobiphenyl
4′-Fluoro-p-phenylaniline
4′-Fluoro-4-biphenylamine
NSC 88341
(4′-Fluorobiphenyl-4-yl)amine
4'-Fluoro(1,1'-biphenyl)-4-amine

Work with 4′-Fluoro[1,1′-biphenyl]-4-amine

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

4-Fluoroaniline371-40-483 % similar 4,4''-Diaminoterphenyl3365-85-367 % similar 4,4′-Difluorobiphenyl398-23-267 % similar Benzidine92-87-567 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-757 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-157 % similar 4-Fluorobiphenyl324-74-355 % similar 4-Amino-P-terphenyl7293-45-055 % similar

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

Same formula

4'-Fluoro(1,1'-biphenyl)-3-amine10540-45-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook