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29949-75-5 molecular structure
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phenylbis(prop-2-en-1-yl)phosphane

ChemBase ID: 137497
Molecular Formular: C12H15P
Molecular Mass: 190.221261
Monoisotopic Mass: 190.09113711
SMILES and InChIs

SMILES:
C=CCP(CC=C)c1ccccc1
Canonical SMILES:
C=CCP(c1ccccc1)CC=C
InChI:
InChI=1S/C12H15P/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKey:
NDIFDGDMWAZLDH-UHFFFAOYSA-N

Cite this record

CBID:137497 http://www.chembase.cn/molecule-137497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenylbis(prop-2-en-1-yl)phosphane
IUPAC Traditional name
phenylbis(prop-2-en-1-yl)phosphane
Synonyms
Phenyldi-(2-phenyldiallyl)phosphine
Diallylphenylphosphine
苯基二-(2-苯基二烯丙基)膦
二烯丙基苯磷化氢
CAS Number
29949-75-5
MDL Number
MFCD00014955
PubChem SID
24860437
162231759
PubChem CID
2733416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
336882 external link Add to cart Please log in.
Data Source Data ID
PubChem 2733416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5891814  LogD (pH = 7.4) 3.653494 
Log P 3.6544  Molar Refractivity 60.1963 cm3
Polarizability 23.68926 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
127 °C/14 mmHg(lit.) expand Show data source
Density
0.969 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.568(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2845 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.2 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
17 expand Show data source
Safety Statements
16-26-27-28-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H250 expand Show data source
GHS Precautionary statements
P222-P231-P422 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
RID/ADR
UN 2845 4.2/PG 1 expand Show data source
Purity
95% expand Show data source
Linear Formula
C6H5P(CH2CH=CH2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 336882 external link
Packaging
2, 10 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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