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1228182-34-0 molecular structure
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di-tert-butyl[4-(trifluoromethyl)phenyl]phosphane

ChemBase ID: 143179
Molecular Formular: C15H22F3P
Molecular Mass: 290.3041506
Monoisotopic Mass: 290.14112199
SMILES and InChIs

SMILES:
CC(C)(C)P(c1ccc(cc1)C(F)(F)F)C(C)(C)C
Canonical SMILES:
CC(P(C(C)(C)C)c1ccc(cc1)C(F)(F)F)(C)C
InChI:
InChI=1S/C15H22F3P/c1-13(2,3)19(14(4,5)6)12-9-7-11(8-10-12)15(16,17)18/h7-10H,1-6H3
InChIKey:
ILWCCADVRXVLTN-UHFFFAOYSA-N

Cite this record

CBID:143179 http://www.chembase.cn/molecule-143179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
di-tert-butyl[4-(trifluoromethyl)phenyl]phosphane
IUPAC Traditional name
di-tert-butyl[4-(trifluoromethyl)phenyl]phosphane
Synonyms
((4-Trifluoromethyl)phenyl)di-tert-butylphosphine
((4-三氟甲基)苯基)二叔丁基膦
CAS Number
1228182-34-0
MDL Number
MFCD16618372
PubChem SID
162237400
PubChem CID
22925485

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
695246 external link Add to cart Please log in.
Data Source Data ID
PubChem 22925485 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9150774  LogD (pH = 7.4) 4.2532434 
Log P 4.2936  Molar Refractivity 75.6526 cm3
Polarizability 28.739223 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)
Melting Point
34-39 °C expand Show data source
Flash Point
109.4 °F expand Show data source
43 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1325 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H228-H315-H319-H335-H413 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 1325 4.1/PG 3 expand Show data source
Purity
85% expand Show data source
Grade
technical grade expand Show data source
Empirical Formula (Hill Notation)
C15H22F3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 695246 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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