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Home> Hot Product Listed T   > T6682505
7333-52-0 structure

T6682505

Iupac Name:cyclopentyl(triphenyl)phosphanium;bromide
CAS No.:7333-52-0
Molecular Weight:411.323
Molecular Formula:C18H13N5O (isomer)
Names and Identifiers
Synonyms

3-{2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl}-1,3-oxazolidin-2-one MCULE-4433167679 MOLPORT-009-053-562 Z735541896 ZINC45816930

Inchi
InChI=1S/C23H24P.BrH/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1
InChkey
WZYWSVSFFTZZPE-UHFFFAOYSA-M
Canonical Smiles
C1CCC(C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Properties
Melting Point
262-266°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
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:411.323g/mol
  • Molecular Formula:C18H13N5O
  • Compound Is Canonicalized:True
  • Exact Mass:410.08
  • Monoisotopic Mass:410.08
  • Complexity:320
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:25
  • 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: AAADceB4AAIAEAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAAABUAAAGAgAAAAACACIEAAwAIAAACCA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-89925085
  • Fax:86-571-89925065
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-(21)-38218795
  • Fax:+86-(21)-38218795
  • Tel:+86 25 85306029
  • Fax:+86 25 85309729
  • Tel:+86-(25)-8645 8768
  • Fax:+86-(25)-8645 5019
  • Tel:+91-(2646)-253593
  • Fax:+91-(2646)-238992
 
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