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Home> Hot Product Listed T   > T5265616
76189-56-5 structure

T5265616

Iupac Name:[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CAS No.:76189-56-5
Molecular Weight:622.67200
Molecular Formula:C25H26N2O3 (isomer)
Names and Identifiers
Synonyms

AB00726253-01 AC1N828X MCULE-4036068600 MOLPORT-004-049-463 n-(4-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide Z44499827

Inchi
InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChkey
MUALRAIOVNYAIW-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8
Properties
Melting Point
239-242ºC
Refractive Index
235 ° (C=0.3, Toluene)
Alpha
240 o (C=0.3, TOLUENE)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26-S37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 76189-56-5 EC: T5265616 ·ECHA C&L Inventory for CAS: CAS: 76189-56-5 EC: T5265616
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:622.67200g/mol
  • Molecular Formula:C25H26N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:622.198
  • Monoisotopic Mass:622.198
  • Complexity:797
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:46
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADcfB8AAMAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAgAAAAADACAGAAwAMAAACCA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAACAAAQAAAAAAQAACAAAAAAAAAA AA==
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