4-Methoxy-2-(trifluoromethyl)aniline

C₈H₈F₃NOCAS 53903-49-4191.15 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₈F₃NO
Molar mass: 191.15 g/mol
Exact mass: 191.0558 Da
logP: 2.30Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure83.3% of notifiers
H412 Harmful to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53903-49-4

SMILES

COC1=CC(=C(C=C1)N)C(F)(F)F

InChIKey

BTRQZDUCUGJMPS-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-Amino-5-methoxybenzotrifluoride

Work with 4-Methoxy-2-(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

4-Fluoro-3-(trifluoromethyl)anisole127271-65-264 % similar 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-662 % similar 4-Chloro-3-(trifluoromethyl)anisole400-73-762 % similar 3,3'-Bis(trifluoromethyl)benzidine346-88-358 % similar 2-Amino-5-methylbenzotrifluoride87617-23-058 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-157 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-657 % similar 4-Methoxy-1,2-phenylenediamine102-51-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 5-(Trifluoromethyl)-m-anisidine349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 5-Amino-2-methoxybenzotrifluoride393-15-7 N-Methyl-4-(trifluoromethoxy)aniline41419-59-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9 3-(Trifluoromethoxy)benzylamine93071-75-1

Elsewhere

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