3-(Trifluoromethoxy)aniline

C₇H₆F₃NOCAS 1535-73-5177.13 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
Density: 1.3254 g/mL (at 20 °C)
Boiling point: 72–73 °C (at 8 Torr)
logP: 2.17Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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 irritation85.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.4% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

1535-73-5

SMILES

Nc1cccc(OC(F)(F)F)c1

InChIKey

SADHVOSOZBAAGL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 3-(trifluoromethoxy)-
m-Anisidine, α,α,α-trifluoro-
3-(Trifluoromethoxy)benzenamine
m-(Trifluoromethoxy)aniline
(3-(Trifluoromethoxy)phenyl)amine
3-[(Trifluoromethyl)oxy]aniline
1-Trifluoromethoxy-3-aminobenzene

Work with 3-(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

3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-464 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-660 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-660 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-758 % similar 3,3′-Oxydianiline15268-07-257 % similar 3-(Trifluoromethoxy)anisole142738-94-156 % similar 3-(Trifluoromethoxy)iodobenzene198206-33-656 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 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 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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