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308847-89-4 molecular structure
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(1-ethylcyclopenta-2,4-dien-1-yl)copper; triphenylphosphane

ChemBase ID: 145251
Molecular Formular: C25H24CuP
Molecular Mass: 418.977821
Monoisotopic Mass: 418.0911599
SMILES and InChIs

SMILES:
CCC1(C=CC=C1)[Cu].c1ccc(cc1)P(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.CCC1([Cu])C=CC=C1
InChI:
InChI=1S/C18H15P.C7H9.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-5-3-4-6-7;/h1-15H;3-6H,2H2,1H3;
InChIKey:
SEPIDINPYNECSG-UHFFFAOYSA-N

Cite this record

CBID:145251 http://www.chembase.cn/molecule-145251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-ethylcyclopenta-2,4-dien-1-yl)copper; triphenylphosphane
IUPAC Traditional name
(1-ethylcyclopenta-2,4-dien-1-yl)copper; triphenylphosphine
Synonyms
(Ethylcyclopentadienyl)(triphenylphosphine)copper(I)
(乙基环戊二烯基)(三苯基膦)铜(I)
CAS Number
308847-89-4
MDL Number
MFCD02093653
PubChem SID
162239459
24873635
PubChem CID
71311150

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
512494 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311150 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  Molar Refractivity 81.6229 cm3
Polarizability 32.34495 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~80 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C25H24CuP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 512494 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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