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Molecule
ID:98324
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀F₈
Molecular Mass
272.0942256
Exact Mass
271.98722576
Charge
0
InChI
InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKey
JDCMOHAFGDQQJX-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c2c1c(F)c(c(c2F)F)F)F
Isomeric Smiles
Fc1c(c(c(c2c(c(c(c(c12)F)F)F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.104338
LogD (pH = 7.4)
4.104338
Log P
4.104338
Molar Refractivity
44.2394
Polarizability
16.401966
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Academic Data
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Commercial Catalog
Names and Identifiers
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IUPAC name
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Synonyms
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IUPAC Traditional name
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
67564
Commercial Catalog
Sigma Aldrich
248061
Alfa Aesar
B21699
A&J Pharmtech
AJA-O10472
Apollo Scientific
PC5340
Names and Identifiers
IUPAC name
octafluoronaphthalene
Synonyms
Perfluoronaphthalene 97%
Octafluoronaphthalene
八氟萘
Perfluoronaphthalene
Octafluoronaphthalene
八氟萘烷
octafluoroNaphthalene
IUPAC Traditional name
octafluoronaphthalene
Registration numbers
CAS Number
313-72-4
MDL Number
MFCD00014307
EC Number
206-239-9
PubChem SID
24854914
162084770
PubChem CID
67564
Beilstein Number
1915630
Molecule Details
Sigma Aldrich
248061
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
EC Number
•
PubChem SID
•
PubChem CID
•
Beilstein Number
Properties
Physical Property
Refractive Index
1.3670
Source
Density
2.070
Source
Boiling Point
80°C/15mm
Source
209°C
Source
Melting Point
87-88°C
Source
87-88 °C(lit.)
Source
84-89°C
Source
Safety Information
Storage Warning
Irritant
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Safety Statements
26
-
36
Source
26
-
37
Source
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
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Irritant (Xi)
Download link
Source
H315
-
H319
-
H335
Source
Warning
Source
36/37/38
Source
3
Source
否
Source
Product Information
Purity
96%
Source
97%
Source
Empirical Formula (Hill Notation)
C10F8
Source
Source
Source
GHS Pictograms
GHS Precautionary statements
European Hazard Symbols
MSDS Link
GHS Hazard statements
GHS Signal Word
Risk Statements
German water hazard class
TSCA Listed