1,10-Phenanthroline

C₁₂H₈N₂CAS 66-71-7180.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈N₂
Molar mass: 180.21 g/mol
Exact mass: 180.0687 Da
Melting point: 117 °C
Boiling point: above 300 °C
logP: 2.78Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-092-00-8), via PubChem.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

66-71-7

SMILES

c1cnc2c(c1)ccc1cccnc12

InChIKey

DGEZNRSVGBDHLK-UHFFFAOYSA-N

InChI

InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

Weigh it out

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

Names and synonyms

9 names

4,5-Diazaphenanthrene
o-Phenanthroline
β-Phenanthroline
1,10-o-Phenanthroline
Activ-8
TS 20
TS 20 (amine)
NSC 203545
11,10-Phenanthroline

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4,5-Phenanthroline monohydrate5144-89-8Hydrate 1,10-Phenanthroline hydrochloride3829-86-5Salt

Similar compounds

Benzo[h]quinoline230-27-368 % similar 2-Bromo-1,10-phenanthroline22426-14-864 % similar 2-Chloro-1,10-phenanthroline7089-68-164 % similar 8-Bromoquinoline16567-18-361 % similar 8-Chloroquinoline611-33-661 % similar Ferroin14634-91-459 % similar 3-Bromo-1,10-phenanthroline66127-01-359 % similar 8-Iodo quinoline1006-47-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzo[c]cinnoline230-17-1 1,7-Phenanthroline230-46-6 1,2-Di(pyridin-4-yl)ethyne73564-69-9 Phenazine92-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia