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16523-89-0 molecular structure
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tris(prop-2-en-1-yl)phosphane

ChemBase ID: 151688
Molecular Formular: C9H15P
Molecular Mass: 154.189161
Monoisotopic Mass: 154.09113711
SMILES and InChIs

SMILES:
C=CCP(CC=C)CC=C
Canonical SMILES:
C=CCP(CC=C)CC=C
InChI:
InChI=1S/C9H15P/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
InChIKey:
GNFABDZKXNKQKN-UHFFFAOYSA-N

Cite this record

CBID:151688 http://www.chembase.cn/molecule-151688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(prop-2-en-1-yl)phosphane
IUPAC Traditional name
tris(prop-2-en-1-yl)phosphane
Synonyms
Tri-2-propenylphosphine
Triallylphosphine
三烯丙基膦
三烯丙膦
CAS Number
16523-89-0
EC Number
240-591-4
MDL Number
MFCD00014956
PubChem SID
24860442
162245838
PubChem CID
85471

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
336939 external link Add to cart Please log in.
Data Source Data ID
PubChem 85471 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1298711  LogD (pH = 7.4) 2.8376384 
Log P 2.9591  Molar Refractivity 54.2931 cm3
Polarizability 19.3536 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)
Boiling Point
70 °C/10 mmHg(lit.) expand Show data source
Flash Point
203 °F expand Show data source
95 °C expand Show data source
Density
0.861 g/mL at 25 °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, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
Linear Formula
(CH2=CHCH2)3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 336939 external link
Packaging
5 g in glass bottle
Application
Catalyst in Negishi phosphine ligand-containing palladium-catalyzed cross-coupling reactions1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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