chempirical

2,5-Dichlorobenzyl chloride

C7H5Cl3CAS 2745-49-5195.47 g/mol

Open in Covalent MOL file
ClClCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H5Cl3
Molar mass
195.47 g/mol
Exact mass
193.9457 Da
Density
1.3048 g/mL (at 20 °C)
Boiling point
102 °C (at 10 Torr)
logP
3.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
2745-49-5
SMILES
ClCc1cc(Cl)ccc1Cl
InChIKey
OMZINLIPPVNUOG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • Benzene, 1,4-dichloro-2-(chloromethyl)-
  • Toluene, α,2,5-trichloro-
  • 1,4-Dichloro-2-(chloromethyl)benzene
  • (2,5-Dichlorophenyl)methyl chloride

Work with 2,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dichlorobenzylamine10541-69-261 % similar 2,5-Dichlorobenzenemethanol34145-05-661 % similar 2-Chlorobenzyl chloride611-19-858 % similar 2,5-Dichlorobenzeneethanamine56133-86-957 % similar 1,2,4-Trichlorobenzene120-82-152 % similar 2,2′,5,5′-Tetrachlorobiphenyl35693-99-350 % similar 2,4-Dichlorobenzyl alcohol1777-82-845 % similar 2,4-Dichlorobenzyl bromide20443-99-645 % similar

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

Same formula

3,4-Dichlorobenzyl chloride102-47-6 2,6-Dichlorobenzyl chloride2014-83-7 2,3,6-Trichlorotoluene2077-46-5 2,3-Dichlorobenzyl chloride3290-01-5 2,4,5-Trichlorotoluene6639-30-1 2,4-Dichlorobenzyl chloride94-99-5 Benzotrichloride98-07-7

Elsewhere

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