1,3,6,8-Tetrabromopyrene

C₁₆H₆Br₄CAS 128-63-2517.84 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₆Br₄
Molar mass: 517.84 g/mol
Exact mass: 513.7203 Da
Melting point: above 300 °C
logP: 7.63Crippen 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 irritation97.6% 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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

128-63-2

SMILES

Brc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c43

InChIKey

ZKBKRTZIYOKNRG-UHFFFAOYSA-N

InChI

InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H

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Names and synonyms

2 names

Pyrene, 1,3,6,8-tetrabromo-
Pyrene, 1,3,6,8-tetrabromo-1,9-dihydro-

Work with 1,3,6,8-Tetrabromopyrene

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

Similar compounds

1,6-Diisopropyl-3,8-dibromopyrene869340-02-356 % similar 1,6-Dibromopyrene27973-29-152 % similar 1,8-Dibromopyrene38303-35-452 % similar 1,2,4,5-Tetrabromobenzene636-28-250 % similar 4-Bromopyrene1732-26-946 % similar 6,12-Dibromochrysene131222-99-645 % similar 2,3,6,7,10,11-Hexabromotriphenylene82632-80-244 % similar 1-Bromopyrene1714-29-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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