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Molecule
ID:111718
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₅H₂₄
Molecular Mass
204.35106
Exact Mass
204.18780077
Charge
0
InChI
InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
InChIKey
LIXVMPBOGDCSRM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCc1ccccc1
Isomeric Smiles
CCCCCCCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.0432167
LogD (pH = 7.4)
6.0432167
Log P
6.0432167
Molar Refractivity
67.9072
Polarizability
26.935785
Polar Surface Area
0.0
Rotatable Bonds
8
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
No Data Available
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Molecular Spectra
No Data Available
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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 name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
Properties
•
Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05220557
Sigma Aldrich
331066
74408
Alfa Aesar
A12957
Academic Data
PubChem
14126
Names and Identifiers
IUPAC name
nonylbenzene
Synonyms
n-NONYL BENZENE
正壬基苯
1-苯基壬烷
1-Phenylnonane
Nonylbenzene
正壬基苯
n-Nonylbenzene
1-Phenylnonane
IUPAC Traditional name
N-nonylbenzene
Registration numbers
CAS Number
1081-77-2
EC Number
214-103-5
PubChem SID
162096781
24859930
24886690
PubChem CID
14126
MDL Number
MFCD00009575
Beilstein Number
1907173
Molecule Details
MP Biomedicals
05220557
MP Biomedicals Rare Chemical collection
Sigma Aldrich
331066
Packaging
5, 25, 100 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
EC Number
•
PubChem SID
•
PubChem CID
•
MDL Number
•
Beilstein Number
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
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Source
Personal Protective Equipment
Eyeshields, Gloves
Source
German water hazard class
3
Source
TSCA Listed
是
Source
Product Information
Certificate of Analysis
Download link
Source
Purity
96%
Source
≥99.0% (GC)
Source
97%
Source
Linear Formula
C6H5(CH2)8CH3
Source
Grade
analytical standard
Source
(limited shelf life, expiry date on the label)
Source
Physical Property
Density
0.858 g/mL at 25 °C(lit.)
Source
0.858
Source
Boiling Point
282 °C(lit.)
Source
281-283°C
Source
Flash Point
110 °C
Source
230 °F
Source
>110°C(230°F)
Source
n20/D 1.483(lit.)
Source
n20/D 1.483
Source
1.4830
Source
Shelf Life
Refractive Index