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Molecule
ID:39574
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₁H₉N
Molecular Mass
155.19586
Exact Mass
155.07349929
Charge
0
InChI
InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
InChIKey
JVZRCNQLWOELDU-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccncc1
Isomeric Smiles
c1c(cccc1)c1ccncc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.279627
LogD (pH = 7.4)
2.4009402
Log P
2.4027987
Molar Refractivity
49.0373
Polarizability
20.54196
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
No Data Available
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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
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
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IUPAC Traditional name
•
IUPAC name
•
Synonyms
Registration numbers
Properties
•
Physical Property
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Safety Information
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Product Information
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Pharmacology Properties
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
•
TRC
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
042493
Apollo Scientific
OR10127
MP Biomedicals
02156202
Sigma Aldrich
P33429
79090
TRC
P336505
Bide Pharmatech
BD13693
Academic Data
PubChem
13651
Names and Identifiers
IUPAC Traditional name
4-phenylpyridine
IUPAC name
4-phenylpyridine
Synonyms
4-Phenylpyridine
4-Phenylpyridine
4-苯基吡啶
γ-Phenylpyridine
NSC 77935
NSC 70375
p-Phenylpyridine
Registration numbers
PubChem SID
161002881
24898403
24887406
PubChem CID
13651
CAS Number
939-23-1
MDL Number
MFCD00006420
Beilstein Number
110490
EC Number
213-357-4
Molecule Details
MP Biomedicals
02156202
Purity: >93%
Sigma Aldrich
P33429
Packaging
25 g in poly bottle
5 g in glass bottle
TRC
P336505
4-Phenylpyridine is a useful synthetic intermediate. 4-Phenylpyridine has been shown to induce inhibition of mitochondrial respiration in mice.
References
PubChem Literature
From Data Sources
•
Aiuchi, T. et al.: Neurochem. Int., 12, 525 (1988)
•
Hoppel, C. et al.: Biochem. Biophys. Res. Comm., 148, 684 (1988)
•
Rapoport, H. et al.: JACS, 74, 6293-6294 (1988)
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
PubChem CID
•
CAS Number
•
MDL Number
•
Beilstein Number
•
EC Number
Properties
Physical Property
Boiling Point
274-275°C
Source
274-275 °C(lit.)
Source
Melting Point
69-73°C
Source
69-73 °C(lit.)
Source
69-73 °C
Source
75-77°C
Source
Apperance
Off-White Solid
Source
Methanol
Source
Chloroform
Source
Safety Information
false
Source
IRRITANT
Source
Download link
Source
Download link
Source
Download link
Source
Product Information
98%
Source
>93%
Source
97%
Source
≥98.0% (NT)
Source
Download link
Source
Download link
Source
Pharmacology Properties
human ... MMP3(4314)
Source
Download link
Source
Download link
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
German water hazard class
3
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
Risk Statements
36/37/38
Source
RTECS
UT7141000
Source
GHS Signal Word
Warning
Source
Safety Statements
26
-
36
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
European Hazard Symbols
Irritant (Xi)
Source
Storage Condition
Refrigerator
Source
Empirical Formula (Hill Notation)
C11H9N
Source
Grade
purum
Source
Solubility
TSCA Listed
Storage Warning
MSDS Link
Purity
Certificate of Analysis
Gene Information