Alpha,alpha-Difluoro-p-methylanisole
Properties
- Molecular formula
- C8H8F2O
- Molar mass
- 158.15 g/mol
- Exact mass
- 158.0543 Da
- Density
- 1.133 g/mL (at 20 °C)
- Melting point
- 165–167 °C
- Boiling point
- 165–167 °C
- logP
- 2.60Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- 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
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
1583-83-1SMILES
Cc1ccc(OC(F)F)cc1InChIKey
DJDQNISEJVPQCS-UHFFFAOYSA-NInChI
InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1-(Difluoromethoxy)-4-methylbenzene
- Benzene, 1-(difluoromethoxy)-4-methyl-
- Anisole, α,α-difluoro-p-methyl-
- Difluoromethyl 4-methylphenyl ether
Work with Alpha,alpha-Difluoro-p-methylanisole
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
(Difluoromethoxy)benzene458-92-456 % similar
1-(Difluoromethoxy)-4-iodobenzene128140-82-956 % similar
4-(Difluoromethoxy)aniline22236-10-856 % similar
1-Bromo-4-(difluoromethoxy)benzene5905-69-156 % similar
4-(Difluoromethoxy)phenol87789-47-756 % similar
4-(Difluoromethoxy)benzaldehyde73960-07-352 % similar
1,1′-Oxybis[4-methylbenzene]1579-40-450 % similar
4-(Difluoromethoxy)benzylamine177842-14-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds