2-Bromo-1,10-phenanthroline

C₁₂H₇BrN₂CAS 22426-14-8259.11 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₂H₇BrN₂
Molar mass: 259.11 g/mol
Exact mass: 257.9793 Da
logP: 3.55Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life75% of notifiers
H410 Very toxic to aquatic life with long lasting effects75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

22426-14-8

SMILES

Brc1ccc2ccc3cccnc3c2n1

InChIKey

ZRJUDAZGVGIDLP-UHFFFAOYSA-N

InChI

InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H

Weigh it out

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

Names and synonyms

2 names

1,10-Phenanthroline, 2-bromo-
2-Bromophenanthroline

Work with 2-Bromo-1,10-phenanthroline

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

1,10-Phenanthroline66-71-764 % similar 1,10-Phenanthroline hydrochloride3829-86-557 % similar 4,5-Phenanthroline monohydrate5144-89-857 % similar 2-Chloro-1,10-phenanthroline7089-68-156 % similar 8-Bromoquinoline16567-18-353 % similar 2-Bromoquinoline2005-43-848 % similar Benzo[h]quinoline230-27-348 % similar 1,7-Phenanthroline230-46-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1,10-phenanthroline40000-20-2 3-Bromo-1,10-phenanthroline66127-01-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook