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937378-18-2 molecular structure
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(9-benzyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide

ChemBase ID: 141310
Molecular Formular: C32H37BF4P
Molecular Mass: 539.4145538
Monoisotopic Mass: 539.26620609
SMILES and InChIs

SMILES:
[B-](F)(F)(F)F.c1ccc(cc1)CC1(c2ccccc2c2c1cccc2)[P+](C1CCCCC1)C1CCCCC1
Canonical SMILES:
C1CCC(CC1)[P+](C1(Cc2ccccc2)c2ccccc2c2c1cccc2)C1CCCCC1.F[B-](F)(F)F
InChI:
InChI=1S/C32H37P.BF4/c1-4-14-25(15-5-1)24-32(30-22-12-10-20-28(30)29-21-11-13-23-31(29)32)33(26-16-6-2-7-17-26)27-18-8-3-9-19-27;2-1(3,4)5/h1,4-5,10-15,20-23,26-27H,2-3,6-9,16-19,24H2;/q;-1/p+1
InChIKey:
TXCRCYKOFGNXQO-UHFFFAOYSA-O

Cite this record

CBID:141310 http://www.chembase.cn/molecule-141310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9-benzyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide
IUPAC Traditional name
(9-benzylfluoren-9-yl)dicyclohexylphosphanium tetrafluoroborate
Synonyms
Dicyclohexyl[9-(phenylmethyl)-9H-fluoren-9-yl]phosphine tetrafluoroborate
cataCXium® FBn
(9-Benzyl-9-fluorenyl)dicyclohexylphosphine tetrafluoroborate
(9-Benzyl-9-fluorenyl)dicyclohexylphosphonium tetrafluoroborate
(9-苄基-9-芴基)二环己基膦四氟硼酸盐
二环己基(9-苯甲基芴-9-基)四氟硼酸磷
CAS Number
937378-18-2
MDL Number
MFCD10567010
PubChem SID
162235544
PubChem CID
57356036

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
691100 external link Add to cart Please log in.
Data Source Data ID
PubChem 57356036 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.009667  LogD (pH = 7.4) 8.010488 
Log P 8.522  Molar Refractivity 142.4519 cm3
Polarizability 57.679703 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C32H38BF4P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 691100 external link
General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
Application
Catalyst for Sonogashira, Suzuki, and Buchwald-Hartwig coupling reactions1
Legal Information
cataCXium is a registered trademark of Evonik Degussa GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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