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1053657-07-0 molecular structure
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[2,6-bis(propan-2-yl)phenyl]dicyclohexylphosphane

ChemBase ID: 141258
Molecular Formular: C24H39P
Molecular Mass: 358.540221
Monoisotopic Mass: 358.27893788
SMILES and InChIs

SMILES:
CC(C)c1cccc(c1P(C1CCCCC1)C1CCCCC1)C(C)C
Canonical SMILES:
CC(c1cccc(c1P(C1CCCCC1)C1CCCCC1)C(C)C)C
InChI:
InChI=1S/C24H39P/c1-18(2)22-16-11-17-23(19(3)4)24(22)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h11,16-21H,5-10,12-15H2,1-4H3
InChIKey:
BTJYWUVKNAFRBF-UHFFFAOYSA-N

Cite this record

CBID:141258 http://www.chembase.cn/molecule-141258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2,6-bis(propan-2-yl)phenyl]dicyclohexylphosphane
IUPAC Traditional name
dicyclohexyl(2,6-diisopropylphenyl)phosphane
Synonyms
[2,6-Bis(1-methylethyl)phenyl]dicyclohexylphosphine
Dicyclohexyl-(2,6-diisopropylphenyl)phosphine
二环己基-(2,6-二异丙基苯基)膦
CAS Number
1053657-07-0
MDL Number
MFCD11044867
PubChem SID
162235493
PubChem CID
20675452

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
698814 external link Add to cart Please log in.
Data Source Data ID
PubChem 20675452 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.180005  LogD (pH = 7.4) 7.3224077 
Log P 7.5164  Molar Refractivity 112.3793 cm3
Polarizability 44.66265 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
96-100 °C 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
97% expand Show data source
Empirical Formula (Hill Notation)
C24H39P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 698814 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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