Cas no 918518-79-3 (Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)-)

Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- structure
918518-79-3 structure
Product Name:Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)-
CAS No:918518-79-3
MF:C16H11BrClN
MW:332.622242212296
MDL:MFCD28387403
CID:773917
PubChem ID:59200507
Update Time:2024-10-26

Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)-
    • 3-benzyl-5-bromo-2-chloroquinoline
    • 5-Bromo-2-chloro-3-(phenylmethyl)quinoline (ACI)
    • DTXSID80731244
    • CS-15245
    • C13203
    • AKOS037650741
    • DB-099118
    • SCHEMBL11982911
    • CS-0011381
    • 918518-79-3
    • MDL: MFCD28387403
    • Inchi: 1S/C16H11BrClN/c17-14-7-4-8-15-13(14)10-12(16(18)19-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
    • InChI Key: MMSMFFGPBNXOKG-UHFFFAOYSA-N
    • SMILES: ClC1C(CC2C=CC=CC=2)=CC2C(=CC=CC=2Br)N=1

Computed Properties

  • Exact Mass: 330.97634g/mol
  • Monoisotopic Mass: 330.97634g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 293
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 435.9±40.0 °C at 760 mmHg
  • Flash Point: 217.4±27.3 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- Security Information

Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- Pricemore >>

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Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Phosphorus oxychloride ;  5 °C; 5 °C → rt
1.2 rt; 6 h, 85 °C; 85 °C → rt
Reference
Quinoline derivatives as antibacterial agents and their preparation, pharmaceutical compositions and use in the treatment of bacterial infections
, World Intellectual Property Organization, , ,

Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- Raw materials

Quinoline, 5-bromo-2-chloro-3-(phenylmethyl)- Preparation Products

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