2,6-Dichloroanisole
Properties
- Molecular formula
- C7H6Cl2O
- Molar mass
- 177.02 g/mol
- Exact mass
- 175.9796 Da
- Melting point
- below 25 °C
- Boiling point
- 105–106 °C
- logP
- 3.00Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1984-65-2SMILES
COc1c(Cl)cccc1ClInChIKey
KZLMCDNAVVJKPX-UHFFFAOYSA-NInChI
InChI=1S/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1,3-dichloro-2-methoxy-
- Anisole, 2,6-dichloro-
- 1,3-Dichloro-2-methoxybenzene
- 2,6-Dichloranisole
- 2,6-Dichlorophenyl methyl ether
Work with 2,6-Dichloroanisole
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
2-Chloro-6-fluoroanisole53145-38-368 % similar
2,4,6-Trichloroanisole87-40-165 % similar
2-Chloroanisole766-51-858 % similar
3-Chloro-2-methoxybenzoic acid3260-93-355 % similar
1,4-Dichloro-2,5-dimethoxybenzene2675-77-652 % similar
1,2,3-Trimethoxybenzene634-36-652 % similar
1-Chloro-3-methoxy-2-methylbenzene3260-88-652 % similar
2,6-Dimethylanisole1004-66-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.