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436865-11-1 molecular structure
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di-tert-butyl(cyclohexyl)phosphane

ChemBase ID: 142732
Molecular Formular: C14H29P
Molecular Mass: 228.353821
Monoisotopic Mass: 228.20068756
SMILES and InChIs

SMILES:
CC(C)(C)P(C1CCCCC1)C(C)(C)C
Canonical SMILES:
CC(P(C(C)(C)C)C1CCCCC1)(C)C
InChI:
InChI=1S/C14H29P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3
InChIKey:
HFFHNJKBAYQARL-UHFFFAOYSA-N

Cite this record

CBID:142732 http://www.chembase.cn/molecule-142732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
di-tert-butyl(cyclohexyl)phosphane
IUPAC Traditional name
di-tert-butyl(cyclohexyl)phosphane
Synonyms
Cyclohexyldi-tert-butylphosphine
Di-tert-butylcyclohexylphosphine
二叔丁基环己基膦
CAS Number
436865-11-1
MDL Number
MFCD03426985
PubChem SID
162236958
PubChem CID
4643321

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
698288 external link Add to cart Please log in.
Data Source Data ID
PubChem 4643321 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2336538  LogD (pH = 7.4) 3.2338326 
Log P 3.4525  Molar Refractivity 75.6764 cm3
Polarizability 28.54279 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
154.4 °F expand Show data source
68 °C expand Show data source
Density
0.889 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.506 expand Show data source
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
10-37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C14H29P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 698288 external link
Packaging
500 mg in glass bottle
Application
Reactant for:
• Dihydrogen activation1
• Synthesis of trinuclear ruthenium complexes2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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