1,4-Dibromobenzene

C₆H₄Br₂CAS 106-37-6235.91 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₄Br₂
Molar mass: 235.91 g/mol
Exact mass: 233.8680 Da
Density: 0.9641 g/mL (at 99.6 °C)
Melting point: 87.3 °C
Boiling point: 220.4 °C
Water solubility: insoluble
logP: 3.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98.5% of notifiers
H319 Causes serious eye irritation98.5% of notifiers
H335 May cause respiratory irritation95.5% of notifiers
H400 Very toxic to aquatic life68.2% of notifiers
H411 Toxic to aquatic life with long lasting effects21.2% of notifiers

Aggregated from 66 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

106-37-6

SMILES

Brc1ccc(Br)cc1

InChIKey

SWJPEBQEEAHIGZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H

Weigh it out

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Names and synonyms

7 names

Benzene, 1,4-dibromo-
Benzene, p-dibromo-
p-Dibromobenzene
p-Bromophenyl bromide
para-Dibromobenzene
p-Phenylene dibromide
NSC 33942

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 106-37-6. Each row opens the sheet with its composition and PDF.

1,4-Dibromobenzene 99 %Avocado Research Chemicals Ltd. · 2024-02-16

Open in the SDS library

Work with 1,4-Dibromobenzene

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

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-Dibromobenzene-D44165-56-4Labelled

Similar compounds

4,4''-Dibromo-P-terphenyl17788-94-275 % similar 4,4′-Dibromobiphenyl92-86-475 % similar 4-Bromophenol106-41-264 % similar Bromobenzene108-86-162 % similar Tetrakis(4-bromophenyl)methane105309-59-960 % similar 4-Bromotoluene106-38-760 % similar 1-Bromo-4-chlorobenzene106-39-860 % similar 4-Bromoaniline106-40-160 % 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

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