2,5-Dichlorobenzyl chloride

C₇H₅Cl₃CAS 2745-49-5195.47 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

Weigh it out

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-Dichlorobenzylic alcohol34145-05-661 % similar 2,5-Dichlorobenzyl bromide85482-13-961 % similar 2-Chlorobenzyl chloride611-19-858 % similar 2,5-Dichlorobenzeneethanamine56133-86-957 % similar 4-Chloro-2-fluorobenzyl chloride87417-71-853 % similar 1,2,4-Trichlorobenzene120-82-152 % similar 2,2',5,5'-Tetrachlorobiphenyl35693-99-350 % 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 1,3-Dichloro-5-(chloromethyl)benzene3290-06-0 2,4,5-Trichlorotoluene6639-30-1 2,4-Dichlorobenzyl chloride94-99-5 Benzotrichloride98-07-7

Elsewhere

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