chempirical

2,4-Dichlorobenzyl chloride

C7H5Cl3CAS 94-99-5195.47 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
Melting point
−2.6 °C
Boiling point
248 °C
logP
3.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
94-99-5
SMILES
ClCc1ccc(Cl)cc1Cl
InChIKey
IRSVDHPYXFLLDS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 2,4-dichloro-1-(chloromethyl)-
  • Toluene, α,2,4-trichloro-
  • 2,4-Dichloro-1-(chloromethyl)benzene
  • α,2,4-Trichlorotoluene
  • 2,4,α-Trichlorotoluene
  • 1-Chloromethyl-2,4-dichlorobenzene
  • NSC 406892

Work with 2,4-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

2,4-Dichlorobenzyl alcohol1777-82-861 % similar 2,4-Dichlorobenzyl bromide20443-99-661 % similar 2,4-Dichlorobenzenemethanethiol59293-67-361 % similar 2,4-Dichlorobenzenemethanamine95-00-161 % similar 2,4-Dichlorobenzeneacetonitrile6306-60-155 % similar 1,2,4-Trichlorobenzene120-82-152 % similar 2,4-Dichlorophenylacetic acid19719-28-950 % similar (2,4-Dichlorobenzyl)triphenylphosphonium chloride2492-23-146 % 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 2,5-Dichlorobenzyl chloride2745-49-5 2,3-Dichlorobenzyl chloride3290-01-5 2,4,5-Trichlorotoluene6639-30-1 Benzotrichloride98-07-7

Elsewhere

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