4-Bromopyrene

C₁₆H₉BrCAS 1732-26-9281.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₉Br
Molar mass: 281.15 g/mol
Exact mass: 279.9888 Da
Melting point: 148.2–150.2 °C
logP: 5.35Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H318 Causes serious eye damage97.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number

1732-26-9

SMILES

Brc1cc2cccc3ccc4cccc1c4c32

InChIKey

QMHTZTOPYZKQLC-UHFFFAOYSA-N

InChI

InChI=1S/C16H9Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H

Weigh it out

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

Names and synonyms

1 names

Pyrene, 4-bromo-

Work with 4-Bromopyrene

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

Benzo[a]pyrene50-32-855 % similar 1,6-Dibromopyrene27973-29-154 % similar 1,8-Dibromopyrene38303-35-454 % similar 9-Bromophenanthrene573-17-154 % similar 1,8-Dibromonaphtalene17135-74-952 % similar Benzo[ghi]perylene191-24-252 % similar Benzo[e]pyrene192-97-250 % similar 1-Bromo-8-chloronaphthalene20816-79-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromofluoranthene13438-50-1 1-Bromopyrene1714-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook