2,6-Dichlorobenzyl chloride

C₇H₅Cl₃CAS 2014-83-7195.47 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
Melting point: 39–40 °C
Boiling point: 135 °C
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 damage95.7% of notifiers
H318 Causes serious eye damage10% of notifiers
H411 Toxic to aquatic life with long lasting effects12.9% of notifiers

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, P501

Identifiers

CAS number

2014-83-7

SMILES

ClCc1c(Cl)cccc1Cl

InChIKey

LBOBESSDSGODDD-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(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, 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-Chlorobenzyl chloride611-19-857 % similar 2,6-Dichlorobenzyl alcohol15258-73-852 % similar 2,6-Dichlorobenzyl bromide20443-98-552 % similar 2,6-Dichlorobenzylamine6575-27-552 % similar 9,10-Bis(chloromethyl)anthracene10387-13-050 % similar 2,6-Dimethylbenzyl chloride5402-60-850 % similar 1,3-Bis(chloromethyl)benzene626-16-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dichlorobenzyl chloride102-47-6 2,3,6-Trichlorotoluene2077-46-5 2,5-Dichlorobenzyl chloride2745-49-5 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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