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Home> Hot Product Listed M   > MOLPORT-003-115-075
15853-35-7 structure

MOLPORT-003-115-075

Iupac Name:benzyl(triphenyl)phosphanium;iodide
CAS No.:15853-35-7
Molecular Weight:480.32
Molecular Formula:C11H12FN3 (isomer)
Names and Identifiers
Synonyms

AKOS024636852 F2292-0495 MCULE-1536182889 n1-(2-(dimethylamino)-2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)-n2-(2,5-dimethylphenyl)oxalamide

Inchi
InChI=1S/C25H22P.HI/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChkey
JOZHCQBYRBGYAJ-UHFFFAOYSA-M
Canonical Smiles
C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]
Properties
Melting Point
261-263°C
HS Code
29310099
Safety and Handling
Risk Statements
22-35
Safety Statements
26-36/37/39-45
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:480.32g/mol
  • Molecular Formula:C11H12FN3
  • Compound Is Canonicalized:True
  • Exact Mass:480.05
  • Monoisotopic Mass:480.05
  • Complexity:347
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB4AAIAAgAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABVAAAGAgAAAAADACIGAAwAIAAACCA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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