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37943-90-1 molecular structure
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2-(diphenylphosphanyl)pyridine

ChemBase ID: 127128
Molecular Formular: C17H14NP
Molecular Mass: 263.273521
Monoisotopic Mass: 263.08638608
SMILES and InChIs

SMILES:
c1(P(c2ccccc2)c2ccccc2)ncccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccn1)c1ccccc1
InChI:
InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H
InChIKey:
SVABQOITNJTVNJ-UHFFFAOYSA-N

Cite this record

CBID:127128 http://www.chembase.cn/molecule-127128.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diphenylphosphanyl)pyridine
IUPAC Traditional name
diphenyl-2-pyridylphosphine
Synonyms
2-(diphenylphosphino)-pyridine
Diphenyl-2-pyridylphosphine
2-(Diphenylphosphino)pyridine
2-Pyridyldiphenylphosphine
Diphenyl(2-pyridinyl)phosphine
Diphenyl-2-pyridylphosphine
二苯基-2-吡啶膦
CAS Number
37943-90-1
MDL Number
MFCD00192108
PubChem SID
162221450
24864153
PubChem CID
621893
24864153
Wikipedia Title
Diphenyl-2-pyridylphosphine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4777465  LogD (pH = 7.4) 4.4931006 
Log P 4.4933  Molar Refractivity 79.7795 cm3
Polarizability 31.393484 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
white crystal expand Show data source
Melting Point
82-84 °C (dec.)(lit.) expand Show data source
82-84°C expand Show data source
85°C expand Show data source
Boiling Point
163°C expand Show data source
Ligand For
Carbonatations expand Show data source
Dehydrogenation expand Show data source
Hydration Reaction expand Show data source
Mitsunobu Reaction expand Show data source
Stannylation 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
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
Main Hazard
GHS07 Acute toxicity (oral, dermal, inhalation), category 4 Skin irritation, category 2 Eye irritation, category 2 Skin sensitization, category 1 Specific Target Organ Toxicity – Single exposure, category 3 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H413 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Impurities
1-3% 2-bromopyridine expand Show data source
Empirical Formula (Hill Notation)
C17H14NP expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 392960 external link
Application
Ligand for metal-catalyzed carbonylations, hydration, dehydrogenative coupling, carbostannylation, distannylation, and silylation; reagent for Mitsunobu reaction.
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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