2,6-Dichlorobenzyl chloride
Properties
- Molecular formula
- C7H5Cl3
- Molar mass
- 195.47 g/mol
- Exact mass
- 193.9457 Da
- Melting point
- 39–40 °C
- Boiling point
- 135 °C
- logP
- 3.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
2014-83-7SMILES
ClCc1c(Cl)cccc1ClInChIKey
LBOBESSDSGODDD-UHFFFAOYSA-NInChI
InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzene, 1,3-dichloro-2-(chloromethyl)-
- Toluene, α,2,6-trichloro-
- 1,3-Dichloro-2-(chloromethyl)benzene
- α,2,6-Trichlorotoluene
- 2-Chloromethyl-1,3-dichlorobenzene
- (2,6-Dichlorophenyl)methyl chloride
- NSC 86116
Work with 2,6-Dichlorobenzyl chloride
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-fluorobenzyl chloride55117-15-267 % similar
2,6-Dichlorobenzyl alcohol15258-73-852 % similar
2,6-Dichlorobenzyl bromide20443-98-552 % similar
9,10-Bis(chloromethyl)anthracene10387-13-050 % similar
1,3-Bis(chloromethyl)benzene626-16-450 % similar
2,6-Difluorobenzyl chloride697-73-450 % similar
2,6-Dichlorobenzeneethanol30595-79-048 % similar
1,2-Dichlorobenzene95-50-147 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds