1,6-Dibromopyrene

C16H8Br2CAS 27973-29-1360.05 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C16H8Br2
Molar mass
360.05 g/mol
Exact mass
357.8993 Da
logP
6.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
27973-29-1
SMILES
C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br
InChIKey
JRCJYPMNBNNCFE-UHFFFAOYSA-N
InChI
InChI=1S/C16H8Br2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H

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Names and synonyms

1 names
  • Pyrene, 1,6-dibromo-

Work with 1,6-Dibromopyrene

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-Bromopyrene1714-29-081 % similar 4-Bromopyrene1732-26-954 % similar 1,3,6,8-Tetrabromopyrene128-63-252 % similar 1,8-Dibromonaphtalene17135-74-952 % similar 1,4-Dibromonaphthalene83-53-448 % similar 3-Bromofluoranthene13438-50-144 % similar 5-Bromoacenaphthene2051-98-143 % similar 1,5-Dibromonaphthalene7351-74-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,7-Dibromopyrene102587-98-4 1,8-Dibromopyrene38303-35-4

Elsewhere

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