1,4-Dibromobenzene-D4

C₆D₄Br₂CAS 4165-56-4239.93 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆D₄Br₂
Molar mass: 239.93 g/mol
Exact mass: 237.8931 Da
logP: 3.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

4165-56-4

SMILES

[2H]C1=C(C(=C(C(=C1Br)[2H])[2H])Br)[2H]

InChIKey

SWJPEBQEEAHIGZ-RHQRLBAQSA-N

InChI

InChI=1S/C6H4Br2/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.

Work with 1,4-Dibromobenzene-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-Dibromobenzene106-37-6Unlabelled

Similar compounds

Bromobenzene-D54165-57-562 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dibromobenzene108-36-1 1,2-Dibromobenzene583-53-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook