4-Fluoro-3-(trifluoromethyl)aniline

C₇H₅F₄NCAS 2357-47-3179.12 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅F₄N
Molar mass: 179.12 g/mol
Exact mass: 179.0358 Da
logP: 2.43Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin89.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.9% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2357-47-3

SMILES

Nc1ccc(F)c(C(F)(F)F)c1

InChIKey

PGFQDLOMDIBAPY-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 4-fluoro-3-(trifluoromethyl)-
m-Toluidine, α,α,α,4-tetrafluoro-
4-Fluoro-3-(trifluoromethyl)benzenamine
3-Trifluoromethyl-4-fluoroaniline
5-Amino-2-fluorobenzotrifluoride
3-Amino-6-fluorobenzotrifluoride
α,α,α,4-Tetrafluoro-3-methylaniline
NSC 10326
α,α,α,4-Tetrafluoro-3-toluidine
4-Fluoro-3-trifluoromethylphenylamine
3-Trifluoromethyl-4-fluorophenylamine

Work with 4-Fluoro-3-(trifluoromethyl)aniline

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

2,2'-Bis(trifluoromethyl)benzidine341-58-264 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-662 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-458 % similar 4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-958 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-258 % similar 4-Methyl-3-(trifluoromethyl)aniline65934-74-958 % similar 3,4-Difluoroaniline3863-11-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-fluorobenzotrifluoride123973-22-8 2-Fluoro-3-(trifluoromethyl)aniline123973-25-1 2-Fluoro-6-(trifluoromethyl)aniline144851-61-6 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-5-trifluoromethylaniline454-67-1 2-Fluoro-5-(trifluoromethyl)aniline535-52-4 2-Fluoro-4-(trifluoromethyl)aniline69409-98-9 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

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