Benzo[f]quinoline

C₁₃H₉NCAS 85-02-9179.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉N
Molar mass: 179.22 g/mol
Exact mass: 179.0735 Da
Melting point: 94 °C
Boiling point: 352 °C
Flash point: 166 °C
Water solubility: < 100 mg/L (18.9 °C)
logP: 3.39Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

85-02-9

SMILES

c1ccc2c(c1)ccc1ncccc12

InChIKey

HCAUQPZEWLULFJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H

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

Names and synonyms

6 names

1-Azaphenanthrene
β-Naphthoquinoline
5,6-Benzoquinoline
5,6-Benzo[f]quinoline
NSC 9850
Benzo(F)quinoline

Work with Benzo[f]quinoline

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

Similar compounds

1,7-Phenanthroline230-46-667 % similar Quinoline91-22-556 % similar Phenanthrene85-01-855 % similar Chrysene218-01-950 % similar Quinoline hydrochloride530-64-350 % similar 5-Bromoquinoline4964-71-047 % similar 5-Chloroquinoline635-27-847 % similar Dibenz[a,h]anthracene53-70-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenanthridine229-87-8 Benzo[h]quinoline230-27-3 2-Cyanobiphenyl24973-49-7 Acridine260-94-6 (1,1'-Biphenyl)-4-carbonitrile2920-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook