2-Fluoro-4-(trifluoromethyl)aniline

C₇H₅F₄NCAS 69409-98-9179.12 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

Danger

H227 Combustible liquid14.3% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin71.4% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation42.9% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

69409-98-9

SMILES

C1=CC(=C(C=C1C(F)(F)F)F)N

InChIKey

ARHDUOQIXLGANT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-4-(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

3,4-Diaminobenzotrifluoride368-71-867 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-263 % similar 2,4-Bis(trifluoromethyl)aniline367-71-562 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-558 % similar 2-Chloro-4-trifluoromethylaniline39885-50-258 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-058 % similar 2-Bromo-4-trifluoromethylaniline57946-63-158 % similar 4-Amino-3-methylbenzotrifluoride67169-22-658 % 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-3-(trifluoromethyl)aniline2357-47-3 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-5-trifluoromethylaniline454-67-1 2-Fluoro-5-(trifluoromethyl)aniline535-52-4 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

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