2,6-Dichlorotoluene
Properties
- Molecular formula
- C7H6Cl2
- Molar mass
- 161.02 g/mol
- Exact mass
- 159.9847 Da
- Density
- 1.2686 g/mL (at 20 °C)
- Melting point
- 25.8 °C
- Boiling point
- 198 °C
- Flash point
- 82 °C
- Water solubility
- insoluble
- logP
- 3.30Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed36.8% of notifiers
- H315 Causes skin irritation61.4% of notifiers
- H318 Causes serious eye damage34.2% of notifiers
- H319 Causes serious eye irritation54.4% of notifiers
- H335 May cause respiratory irritation55.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects32.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects32.5% of notifiers
Aggregated from 114 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
118-69-4SMILES
Cc1c(Cl)cccc1ClInChIKey
DMEDNTFWIHCBRK-UHFFFAOYSA-NInChI
InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzene, 1,3-dichloro-2-methyl-
- Toluene, 2,6-dichloro-
- 1,3-Dichloro-2-methylbenzene
- 2,6-Dichloro-1-methylbenzene
- NSC 60722
Work with 2,6-Dichlorotoluene
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-Chloro-2,3-dimethylbenzene608-23-170 % similar
2-Bromo-6-chlorotoluene62356-27-867 % similar
3-Chloro-2-methylaniline87-60-567 % similar
3-Chloro-2-methylphenol3260-87-564 % similar
2-Chloro-6-iodotoluene42048-11-364 % similar
2-Chloro-6-fluorotoluene443-83-464 % similar
1-Chloro-3-methoxy-2-methylbenzene3260-88-658 % similar
1-Chloro-2-methyl-3-(methylthio)benzene82961-52-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds