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Molecule
ID:83014
Structure
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Functional Group
Text
General Information
Structure
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Molecular Formula
C₁₉H₁₇P
Molecular Mass
276.312041
Exact Mass
276.10678717
Charge
0
InChI
InChI=1S/C19H17P/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
QJIMTLTYXBDJFC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)P(c1ccccc1)c1ccccc1
Isomeric Smiles
P(c1ccc(cc1)C)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5738
LogD (pH = 7.4)
5.5738
Log P
5.5738
Molar Refractivity
86.6641
Polarizability
34.109203
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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Synonyms
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IUPAC Traditional name
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IUPAC name
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Molecular Spectra
Molecule Details
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MP Biomedicals
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References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR25785
MP Biomedicals
05203983
Sigma Aldrich
155039
Bide Pharmatech
BD125850
Alfa Aesar
B21115
Academic Data
PubChem
70575
Names and Identifiers
Synonyms
(4-methylphenyl)(diphenyl)phosphine
DIPHENYL-4-METHYLPHENYLPHOSPHINE
Diphenyl(p-tolyl)phosphine
p-Tolyldiphenylphosphine
Diphenyl(p-tolyl)phosphine
二苯基对甲苯基膦
二苯基甲苯基磷
(4-Methylphenyl)diphenyl phosphine
IUPAC Traditional name
(4-methylphenyl)diphenylphosphane
IUPAC name
(4-methylphenyl)diphenylphosphane
Registration numbers
EC Number
213-848-3
MDL Number
MFCD00008543
CAS Number
1031-93-2
Beilstein Number
646709
PubChem SID
162070133
24849330
PubChem CID
70575
Properties
Safety Information
Storage Warning
Irritant
Source
MSDS Link
Download link
Source
Download link
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P280G-
P305+P351+P338
Source
GHS Signal Word
Warning
Source
German water hazard class
3
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Safety Statements
26
-
37/39
Source
26
-
37
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Risk Statements
36/37/38
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
European Hazard Symbols
Irritant (Xi)
Source
TSCA Listed
否
Source
Physical Property
Melting Point
64-68°C
Source
66-68 °C(lit.)
Source
64-68°C
Source
Product Information
Certificate of Analysis
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Source
Purity
96%
Source
95+%
Source
Linear Formula
(C6H5)2PC6H4CH3
Source
Molecule Details
MP Biomedicals
05203983
MP Biomedicals Rare Chemical collection
Sigma Aldrich
155039
Packaging
10 g in glass bottle
Application
Reactant for:
• Three-component cyclization1
• Probing coordination ability via a palladium pincer complex2
• Chelation-assisted hydroacylation of olefins with primary alcohols3Reactant for synthesis of:
• Trinuclear ruthenium carbonyl triarylphosphine cluster complexes4
• Leishmanicidal leads targeting mitochondria through inhibition of the respiratory complex5
• InP nanofibers / metal phosphide nanostructures6
• Peroxyl radical cations via pulse radiolysis one-electron oxidations7
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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EC Number
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MDL Number
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CAS Number
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Beilstein Number
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PubChem SID
•
PubChem CID
Irritant (Xi)