(Difluoromethoxy)benzene

C₇H₆F₂OCAS 458-92-4144.12 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₇H₆F₂O
Molar mass: 144.12 g/mol
Exact mass: 144.0387 Da
Density: 1.171 g/mL (at 20 °C)
Boiling point: 139–140 °C (at 763 Torr)
logP: 2.29Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

458-92-4

SMILES

FC(F)Oc1ccccc1

InChIKey

LMVBQQAXGZVBFH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H

Weigh it out

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

Names and synonyms

6 names

Benzene, (difluoromethoxy)-
Anisole, α,α-difluoro-
Difluoromethyl phenyl ether
Phenyl difluoromethyl ether
α,α-Difluoroanisole
NSC 265871

Work with (Difluoromethoxy)benzene

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

1-(Difluoromethoxy)-4-iodobenzene128140-82-956 % similar Alpha,alpha-Difluoro-p-methylanisole1583-83-156 % similar 4-(Difluoromethoxy)aniline22236-10-856 % similar 1-Bromo-4-(difluoromethoxy)benzene5905-69-156 % similar 4-(Difluoromethoxy)phenol87789-47-756 % similar 4-(Difluoromethoxy)benzonitrile90446-25-656 % similar 3-(Difluoromethoxy)aniline22236-08-454 % similar 3-(Difluoromethoxy)bromobenzene262587-05-354 % 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 2,4-Difluorobenzenemethanol56456-47-4 1,4-Difluoro-2-methoxybenzene75626-17-4 2,3-Difluorobenzyl alcohol75853-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook