3,5-Difluoro-4-methoxyaniline

C₇H₇F₂NOCAS 363-47-3159.14 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₇F₂NO
Molar mass: 159.14 g/mol
Exact mass: 159.0496 Da
Melting point: 78.5–79 °C
Boiling point: 80 °C (at 0.1 Torr)
logP: 1.56Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin80% of notifiers
H312 Harmful in contact with skin20% 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 irritation20% of notifiers

Aggregated from 5 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, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

363-47-3

SMILES

COc1c(F)cc(N)cc1F

InChIKey

POVSDXPEJZMSEJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 3,5-difluoro-4-methoxy-
p-Anisidine, 3,5-difluoro-
3,5-Difluoro-4-methoxybenzenamine

Work with 3,5-Difluoro-4-methoxyaniline

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-Bromo-5-fluoro-4-methoxyaniline875664-44-172 % similar 4-Bromo-2,6-difluoroanisole104197-14-057 % similar 3-Fluoro-4-methoxyaniline366-99-457 % similar 3,4,5-Trimethoxyaniline24313-88-056 % similar 5-Fluoro-6-methoxy-pyridin-3-ylamine886372-63-053 % similar 1,3-Difluoro-2-methoxybenzene437-82-152 % similar (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-952 % similar 4-Fluoro-3-methoxyaniline64465-53-852 % 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 4-(Difluoromethoxy)aniline22236-10-8

Elsewhere

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