3-(Difluoromethoxy)aniline

C₇H₇F₂NOCAS 22236-08-4159.14 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₇H₇F₂NO
Molar mass: 159.14 g/mol
Exact mass: 159.0496 Da
logP: 1.87Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed10.6% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

22236-08-4

SMILES

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

InChIKey

RSOFZRXRIPVBBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H,10H2

Weigh it out

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

Work with 3-(Difluoromethoxy)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-Isopropoxyaniline41406-00-261 % similar 3,3′-Diaminodiphenyl ether15268-07-257 % similar M-Anisidine536-90-357 % similar 3-(Difluoromethoxy)bromobenzene262587-05-356 % similar 3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-555 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-454 % similar (Difluoromethoxy)benzene458-92-454 % similar 3-(Difluoromethoxy)benzaldehyde85684-61-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Difluoromethoxy)aniline22236-04-0 4-(Difluoromethoxy)aniline22236-10-8 3,5-Difluoro-4-methoxyaniline363-47-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook