1-Bromopyrene

C₁₆H₉BrCAS 1714-29-0281.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₉Br
Molar mass: 281.15 g/mol
Exact mass: 279.9888 Da
logP: 5.35Crippen 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 irritation97.9% of notifiers

Aggregated from 47 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

1714-29-0

SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)Br

InChIKey

HYGLETVERPVXOS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromopyrene

Reactions

3-BROMOPYRENE (Pyrene, 1-bromo-)product

Work with 1-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

1,6-Dibromopyrene27973-29-181 % similar 1,8-Dibromopyrene38303-35-481 % similar 1,8-Dibromonaphtalene17135-74-964 % similar Pyrene129-00-052 % similar 1-Bromonaphthalene90-11-952 % similar 1-Aminopyrene1606-67-350 % similar Benzo[ghi]perylene191-24-250 % similar 1-Methylpyrene2381-21-750 % similar

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

Same formula

3-Bromofluoranthene13438-50-1 4-Bromopyrene1732-26-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook