α,α′-Dichloro-o-xylene

C₈H₈Cl₂CAS 612-12-4175.05 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₈H₈Cl₂
Molar mass: 175.05 g/mol
Exact mass: 174.0003 Da
Density: 1.37 g/mL
Melting point: 55 °C
Boiling point: 239.5 °C
logP: 3.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed19.6% of notifiers
H314 Causes severe skin burns and eye damage92.2% of notifiers
H330 Fatal if inhaled11.8% of notifiers
H335 May cause respiratory irritation86.3% of notifiers
H400 Very toxic to aquatic life19.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects19.6% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

612-12-4

SMILES

ClCc1ccccc1CCl

InChIKey

FMGGHNGKHRCJLL-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

7 names

Benzene, 1,2-bis(chloromethyl)-
o-Xylene, α,α′-dichloro-
1,2-Bis(chloromethyl)benzene
o-Xylylene dichloride
o-Bis(chloromethyl)benzene
o-Xylene-α,α′-dichloride
NSC 71934

Work with α,α′-Dichloro-o-xylene

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-Bromobenzyl chloride578-51-865 % similar 2-Chlorobenzyl chloride611-19-865 % similar 2-Fluorobenzyl chloride345-35-762 % similar 2-Methylbenzyl chloride552-45-462 % similar 2-Iodobenzyl chloride59473-45-962 % similar 1-Chloromethylnaphthalene35255-58-459 % similar 1-(Chloromethyl)naphthalene86-52-259 % similar 2-Cyanobenzyl chloride612-13-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichloro-p-xylene1124-05-6 2-Chloro-4-(chloromethyl)-1-methylbenzene2719-40-6 Alpha,alpha'-Dichloro-p-xylene623-25-6 1,3-Bis(chloromethyl)benzene626-16-4

Elsewhere

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