2-Trifluoromethoxyaniline

C₇H₆F₃NOCAS 1535-75-7177.13 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: 56 °C (at 11 Torr)
logP: 2.17Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor89.6% of notifiers
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 irritation87.5% 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

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1535-75-7

SMILES

Nc1ccccc1OC(F)(F)F

InChIKey

ZFCOUBUSGHLCDT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 2-(trifluoromethoxy)-
o-Anisidine, α,α,α-trifluoro-
2-(Trifluoromethoxy)benzenamine
o-(Trifluoromethoxy)aniline
2-Trifluoromethoxyphenylamine
o-(Trifluoromethoxy)phenylamine
2-(Trifluoromethyloxy)aniline
2-(Trifluoromethoxy)aniline

Work with 2-Trifluoromethoxyaniline

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

1-Fluoro-2-(trifluoromethoxy)benzene2106-18-557 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-455 % similar 4-Chloro-2-(trifluoromethoxy)aniline175205-77-355 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-855 % similar 5-Bromo-2-(trifluoromethoxy)aniline886762-08-955 % similar 4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-654 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-953 % similar 2-(Trifluoromethoxy)thiophenol175278-01-053 % 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-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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