2-Methyl-4-(trifluoromethoxy)aniline

C₈H₈F₃NOCAS 86256-59-9191.15 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: 2.48Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled86.7% of notifiers
H302 Harmful if swallowed93.3% of notifiers
H311 Toxic in contact with skin13.3% of notifiers
H312 Harmful in contact with skin84.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage84.4% of notifiers
H319 Causes serious eye irritation15.6% of notifiers
H332 Harmful if inhaled93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

86256-59-9

SMILES

CC1=C(C=CC(=C1)OC(F)(F)F)N

InChIKey

IIDBMILLZRYZCH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Methyl-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

2-Bromo-4-(trifluoromethoxy)aniline175278-17-860 % similar 2-Chloro-4-(trifluoromethoxy)aniline69695-61-060 % similar 4-Methoxy-2-methylaniline102-50-159 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-457 % similar 2-Bromo-5-(trifluoromethoxy)aniline887267-47-256 % similar 4-Amino-3-methylbenzotrifluoride67169-22-651 % similar 2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine238098-26-551 % similar 2-Nitro-4-(trifluoromethoxy)aniline2267-23-451 % 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 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 3-(Trifluoromethoxy)benzylamine93071-75-1

Elsewhere

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