2-(quinolin-2-yl)quinoline

• ChemBase ID: 104146
• Molecular Formular: C18H12N2
• Molecular Mass: 256.30128
• Monoisotopic Mass: 256.10004839
• SMILES: c1cc2ccc(nc2cc1)c1ccc2ccccc2n1
• Canonical SMILES: c1ccc2c(c1)nc(cc2)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
• InChIKey: WPTCSQBWLUUYDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-2-yl)quinoline
• IUPAC Traditional name: 2,2'-biquinoline
• Synonyms: 2,2′-Diquinolyl; Cuproin; 2,2′-Biquinoline; 2,2'-Diquinolyl; 2,2'-Biquinoline; Cuproine; 2,2'-BIQUINOLINE; 2,2′-二喹啉; 亚铜试剂; 2,2′-联喹啉; 2,2'-联喹啉

Database IDs

• CAS Number: 119-91-5
• EC Number: 204-357-5
• MDL Number: MFCD00006740
• Beilstein Number: 187259
• PubChem SID: 162091601; 24861730; 24891725
• PubChem CID: 8412

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7068176
• LogD (pH = 7.4): 4.707473
• Log P: 4.707481
• Molar Refractivity: 78.2928 cm^3
• Polarizability: 34.922874 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192-195 °C; 192-195 °C(lit.); 193-196°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0%; ≥99.0% (NT); 98%; 98+%
• Ignition Residue: ≤0.05%
• Quality: for spectrophotometric det. of Cu
• Empirical Formula (Hill Notation): C18H12N2

DETAILS

MP Biomedicals - 02154857

(Cuproine) Crystalline

MP Biomedicals - 05205296

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B35407

Packaging
1, 5 g in glass bottle

REFERENCES

• Reagent for spectrophotometric determination of Cu: Analyst, 83, 299 (1958).
• Indicator for titration of organolithium reagents, giving yellow-green charge-transfer complexes.