4-(Trifluoromethoxy)aniline

C₇H₆F₃NOCAS 461-82-5177.13 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₇H₆F₃NO
Molar mass: 177.13 g/mol
Exact mass: 177.0401 Da
Boiling point: 73–75 °C (at 10 Torr)
logP: 2.17Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin93.2% of notifiers
H315 Causes skin irritation84.7% of notifiers
H318 Causes serious eye damage86.4% of notifiers
H319 Causes serious eye irritation11.9% of notifiers
H330 Fatal if inhaled11.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure79.7% of notifiers
H400 Very toxic to aquatic life11.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects11.9% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

461-82-5

SMILES

Nc1ccc(OC(F)(F)F)cc1

InChIKey

XUJFOSLZQITUOI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 4-(trifluoromethoxy)-
p-Anisidine, α,α,α-trifluoro-
4-(Trifluoromethoxy)benzenamine
p-(Trifluoromethoxy)aniline
α,α,α-Trifluoro-p-anisidine
p-Trifluoromethoxyphenylamine
(4-(Trifluoromethoxy)phenyl)amine
4-Trifluoromethoxybenzeneamine
1-Amino-4-(trifluoromethoxy)benzene
4-[(Trifluoromethyl)oxy]aniline

Work with 4-(Trifluoromethoxy)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

4-(1,1,2,2-Tetrafluoroethoxy)aniline713-62-259 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 4-(Trifluoromethoxy)thiophenol169685-29-456 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar 4-Trifluoromethoxytoluene706-27-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-9 6-(Trifluoromethyl)pyridine-3-methanol386704-04-7 2-Amino-5-(trifluoromethyl)phenol454-82-0

Elsewhere

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