1,4-Dichlorobenzene-D4

C₆D₄Cl₂CAS 3855-82-1151.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆D₄Cl₂
Molar mass: 151.02 g/mol
Exact mass: 149.9941 Da
logP: 2.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H351 Suspected of causing cancer75% of notifiers
H400 Very toxic to aquatic life75% of notifiers
H410 Very toxic to aquatic life with long lasting effects75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, P391, P405, P501

Identifiers

CAS number

3855-82-1

SMILES

[2H]c1c([2H])c(Cl)c([2H])c([2H])c1Cl

InChIKey

OCJBOOLMMGQPQU-RHQRLBAQSA-N

InChI

InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D

Weigh it out

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

Names and synonyms

7 names

Benzene-1,2,4,5-d4, 3,6-dichloro-
Benzene-1,2,4,5-d4, dichloro-
3,6-Dichlorobenzene-1,2,4,5-d4
Tetradeutero-p-dichlorobenzene
p-Dichlorobenzene-d4
1,4-Dichloroperdeuteriobenzene
1,4-Dichloro-2,3,5,6-tetradeuteriobenzene

Work with 1,4-Dichlorobenzene-D4

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,4-Dichlorobenzene106-46-7Unlabelled

Similar compounds

Chloro(2H5)benzene3114-55-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dichlorobenzene-D42199-69-1 1,3-Dichlorobenzene541-73-1 1,2-Dichlorobenzene95-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook