3-Bromophenanthrene-9,10-dione

C₁₄H₇BrO₂CAS 13292-05-2287.11 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₇BrO₂
Molar mass: 287.11 g/mol
Exact mass: 285.9629 Da
logP: 3.50Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

13292-05-2

SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C(=O)C2=O

InChIKey

OFVPOKPVPJPQAY-UHFFFAOYSA-N

InChI

InChI=1S/C14H7BrO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H

Weigh it out

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

Names and synonyms

1 names

3-Bromo-9,10-phenanthrenedione

Work with 3-Bromophenanthrene-9,10-dione

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

3,6-Dibromophenanthrene-9,10-quinone53348-05-381 % similar 3-Bromo-9H-fluoren-9-one2041-19-274 % similar 2,7-Dibromo-9,10-phenanthrenedione84405-44-763 % similar Phenanthrenequinone84-11-763 % similar 2-Bromo-9-fluorenone3096-56-859 % similar 2,7-Dibromo-9-fluorenone14348-75-548 % similar 2,6-Dibromoanthraquinone633-70-545 % similar 6-Bromoisatin6326-79-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromoanthraquinone572-83-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook