chempirical

2,6-Dichlorobenzyl bromide

C7H5BrCl2CAS 20443-98-5239.92 g/mol

Open in Covalent MOL file
ClClBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H5BrCl2
Molar mass
239.92 g/mol
Exact mass
237.8952 Da
Melting point
45–46 °C
Boiling point
118 °C (at 2 Torr)
logP
3.89Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
20443-98-5
SMILES
Clc1cccc(Cl)c1CBr
InChIKey
PDFGFQUSSYSWNI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Weigh it out

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Names and synonyms

7 names
  • Benzene, 2-(bromomethyl)-1,3-dichloro-
  • Toluene, α-bromo-2,6-dichloro-
  • 2-(Bromomethyl)-1,3-dichlorobenzene
  • α-Bromo-2,6-dichlorotoluene
  • 2,6-Dichloro-α-bromotoluene
  • NSC 93898
  • 1-Bromomethyl-2,6-dichlorobenzene

Work with 2,6-Dichlorobenzyl bromide

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Bromomethyl)-3-chlorobenzonitrile77533-18-761 % similar 2-Chlorobenzyl bromide611-17-658 % similar 2,6-Dichlorobenzyl chloride2014-83-752 % similar 2,6-Dichlorobenzyl alcohol15258-73-850 % similar 2,6-Difluorobenzyl bromide85118-00-948 % similar 1,3-Bis(bromomethyl)benzene626-15-348 % similar 2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-447 % similar 2,6-Dichlorobenzeneethanol30595-79-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dichlorobenzyl bromide18880-04-1 2,4-Dichlorobenzyl bromide20443-99-6 2-Bromo-1,3-dichloro-4-methylbenzene206559-41-3

Elsewhere

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