3-Bromophenanthrene

C₁₄H₉BrCAS 715-50-4257.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₉Br
Molar mass: 257.13 g/mol
Exact mass: 255.9888 Da
logP: 4.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation97.5% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers
H400 Very toxic to aquatic life95% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

715-50-4

SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br

InChIKey

BNGNNFQSUWVWCW-UHFFFAOYSA-N

InChI

InChI=1S/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H

Weigh it out

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

Work with 3-Bromophenanthrene

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

2-Bromobenzo[9,10]phenanthrene19111-87-663 % similar 2-Bromonaphthalene580-13-263 % similar 2,7-Dibromotriphenylene888041-37-063 % similar Dibenz[a,h]anthracene53-70-361 % similar 10-Bromo-7H-benzo[C]carbazole1698-16-459 % similar 2,7-Dibromophenanthrene62325-30-858 % similar 2-Bromo-9,10-di(naphthalen-1-yl)anthracene929031-39-058 % similar Phenanthrene85-01-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Bromoanthracene1564-64-3 9-Bromoanthracene-D9183486-02-4 9-Bromophenanthrene573-17-1 2-Bromophenanthrene62162-97-4 2-Bromoanthracene7321-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook