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15709-74-7 molecular structure
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bromocopper; tris(triphenylphosphane)

ChemBase ID: 139596
Molecular Formular: C54H45BrCuP3
Molecular Mass: 930.306383
Monoisotopic Mass: 928.12134583
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Cu]Br
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Cu]
InChI:
InChI=1S/3C18H15P.BrH.Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1
InChIKey:
QXLPGKOIQZWUPL-UHFFFAOYSA-M

Cite this record

CBID:139596 http://www.chembase.cn/molecule-139596.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromocopper; tris(triphenylphosphane)
IUPAC Traditional name
copper(I) bromide; tris(triphenylphosphine)
Synonyms
Bromotris(triphenylphosphine)copper(I)
溴三(三苯基膦)铜(I)
CAS Number
15709-74-7
MDL Number
MFCD04118115
PubChem SID
162233844
24874783
PubChem CID
11251615

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
572144 external link Add to cart Please log in.
Data Source Data ID
PubChem 11251615 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
168-170 °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
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C54H45BrP3Cu expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 572144 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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