4-(Difluoromethoxy)aniline

C₇H₇F₂NOCAS 22236-10-8159.14 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

Danger

H301 Toxic if swallowed89.6% of notifiers
H302 Harmful if swallowed10.4% of notifiers
H312 Harmful in contact with skin10.4% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled10.4% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

22236-10-8

SMILES

C1=CC(=CC=C1N)OC(F)F

InChIKey

NDEZTSHWEPQVBX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-(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

(Difluoromethoxy)benzene458-92-456 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-956 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-156 % similar 1-Bromo-4-(difluoromethoxy)benzene5905-69-156 % similar 4-(1-Methylethoxy)benzenamine7664-66-656 % similar 4-(Difluoromethoxy)phenol87789-47-756 % similar 4-(Difluoromethoxy)benzylamine177842-14-755 % similar 4-(Difluoromethoxy)benzaldehyde73960-07-352 % similar

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

Same formula

2-(Difluoromethoxy)aniline22236-04-0 3-(Difluoromethoxy)aniline22236-08-4 3,5-Difluoro-4-methoxyaniline363-47-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook