1,3-Difluoro-5-methoxybenzene
Properties
- Molecular formula
- C7H6F2O
- Molar mass
- 144.12 g/mol
- Exact mass
- 144.0387 Da
- Boiling point
- 145–148 °C
- logP
- 1.97Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H335 May cause respiratory irritation93.6% of notifiers
Aggregated from 47 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
93343-10-3SMILES
COc1cc(F)cc(F)c1InChIKey
OTGQPYSISUUHAF-UHFFFAOYSA-NInChI
InChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzene, 1,3-difluoro-5-methoxy-
- 3,5-Difluoroanisole
Work with 1,3-Difluoro-5-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Fluoro-3,5-dimethoxybenzene52189-63-689 % similar
1-Chloro-3-fluoro-5-methoxybenzene202925-08-468 % similar
3-Fluoro-5-methoxyaniline2339-58-468 % similar
3-Bromo-5-fluoroanisole29578-39-068 % similar
1-Fluoro-3-methoxybenzene456-49-563 % similar
3-Fluoro-5-methoxyphenylboronic acid609807-25-261 % similar
1,3,5-Trimethoxybenzene621-23-858 % similar
4-Fluoroanisole459-60-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.