1,4-Difluoro-2-methoxybenzene

C₇H₆F₂OCAS 75626-17-4144.12 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆F₂O
Molar mass: 144.12 g/mol
Exact mass: 144.0387 Da
Melting point: 59–60 °C
Boiling point: 72–73 °C (at 25 Torr)
logP: 1.97Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

75626-17-4

SMILES

COc1cc(F)ccc1F

InChIKey

HUDMAQLYMUKZOZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,4-difluoro-2-methoxy-
2,5-Difluoroanisole
2,5-Difluoroanisol

Work with 1,4-Difluoro-2-methoxybenzene

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-1,2-dimethoxybenzene398-62-969 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-764 % similar 1,2,4-Trifluorobenzene367-23-763 % similar 4-Fluoro-2-methoxyaniline450-91-962 % similar 2-Fluoro-5-methylanisole63762-78-762 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-260 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-560 % similar 2-Bromo-5-fluoroanisole450-88-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Difluoro-4-methoxybenzene115144-40-6 1,2-Difluoro-3-methoxybenzene134364-69-5 2,6-Difluorobenzenemethanol19064-18-7 1,3-Difluoro-2-methoxybenzene437-82-1 2,4-Difluoroanisole452-10-8 (Difluoromethoxy)benzene458-92-4 2,4-Difluorobenzenemethanol56456-47-4 2,3-Difluorobenzyl alcohol75853-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook