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15629-92-2 molecular structure
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1,1,3,3-tetraphenyl-1λ5,3λ5-diphospha-2-nickelacyclohexane-1,3-bis(ylium) dichloride

ChemBase ID: 303125
Molecular Formular: C27H26Cl2NiP2
Molecular Mass: 542.042262
Monoisotopic Mass: 540.02402235
SMILES and InChIs

SMILES:
c1ccc(cc1)[P+]1(CCC[P+]([Ni]1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].[Cl-]
Canonical SMILES:
C1C[P+]([Ni][P+](C1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-]
InChI:
InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
InChIKey:
ZBQUMMFUJLOTQC-UHFFFAOYSA-L

Cite this record

CBID:303125 http://www.chembase.cn/molecule-303125.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,3,3-tetraphenyl-1λ5,3λ5-diphospha-2-nickelacyclohexane-1,3-bis(ylium) dichloride
IUPAC Traditional name
1,1,3,3-tetraphenyl-1λ5,3λ5-diphospha-2-nickelacyclohexane-1,3-bis(ylium) dichloride
Synonyms
1,3-Bis(diphenylphosphino)propane nickel(II) chloride
Dichloro[bis(1,3-diphenylphosphino)propane]nickel(II)
双(1,3-二苯基膦)丙基二氯化镍(II)
CAS Number
15629-92-2
MDL Number
MFCD00015318

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.1149  LogD (pH = 7.4) 6.1149 
Log P 6.1149  Molar Refractivity 126.6982 cm3
Polarizability 53.05648 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
213°C dec. expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
36/37/38-40-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H351-H315-H319-H317-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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