1,2-Difluoro-3-methoxybenzene

C₇H₆F₂OCAS 134364-69-5144.12 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
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 vapor14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

134364-69-5

SMILES

COc1cccc(F)c1F

InChIKey

RDOGTTNFVLSBKG-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

Benzene, 1,2-difluoro-3-methoxy-
2,3-Difluoroanisole
2,3-Difluorophenyl methyl ether

Work with 1,2-Difluoro-3-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

2,3,4-Trifluoroanisole203245-16-367 % similar 2-Fluoroanisole321-28-865 % similar 3-Chloro-2-fluoroanisole261762-56-562 % similar 1-Bromo-2-fluoro-3-methoxybenzene295376-21-562 % similar 2-Bromo-3-fluoroanisole446-59-360 % similar 2-Fluoro-6-methoxyaniline446-61-760 % similar 3-Fluoro-2-iodoanisole7079-54-160 % similar 2-Fluoro-6-methoxyphenol73943-41-660 % similar

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

Same formula

1,2-Difluoro-4-methoxybenzene115144-40-6 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 1,4-Difluoro-2-methoxybenzene75626-17-4 2,3-Difluorobenzyl alcohol75853-18-8

Elsewhere

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