3,8-Dibromophenanthroline

C₁₂H₆Br₂N₂CAS 100125-12-0338.00 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₂H₆Br₂N₂
Molar mass: 338.00 g/mol
Exact mass: 335.8898 Da
logP: 4.31Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

100125-12-0

SMILES

C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br

InChIKey

IDWJREBUVYSPKS-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H

Weigh it out

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

Names and synonyms

1 names

3,8-Dibromo-1,10-phenanthroline

Work with 3,8-Dibromophenanthroline

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-Bromo-1,10-phenanthroline66127-01-374 % similar 3-Bromoquinoline5332-24-154 % similar 2,6-Dibromonaphthalene13720-06-448 % similar 2,7-Dibromopyrene102587-98-446 % similar 2,7-Dibromonaphthalene58556-75-546 % similar 3-Bromo-8-chloro-1,5-naphthyridine97267-61-345 % similar 3,5-Dibromo-2-fluoropyridine473596-07-545 % similar 2,6-Dibromoanthracene186517-01-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,7-Dibromo-1,10-phenanthroline156492-30-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook