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Molecule
ID:87312
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀Cl₈
Molecular Mass
403.731
Exact Mass
399.75082144
Charge
0
InChI
InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKey
RTNLUFLDZOAXIC-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl
Isomeric Smiles
Clc1c(c2c(c(c1Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.79508
LogD (pH = 7.4)
7.79508
Log P
7.79508
Molar Refractivity
80.9466
Polarizability
33.339294
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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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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Bioactivity
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General Information
Calculated Properties
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RDKit
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IUPAC Traditional name
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IUPAC name
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Synonyms
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Safety Information
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Physical Property
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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
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR30671
Sigma Aldrich
36935
A&J Pharmtech
AJA-O10443
Academic Data
PubChem
16692
Names and Identifiers
IUPAC Traditional name
perna
IUPAC name
octachloronaphthalene
Synonyms
Perchloronaphthalene
Octachloronaphthalene
八氯萘 溶液
Octachloronaphthalene solution
1,2,3,4,5,6,7,8-octachloroNaphthalene
Registration numbers
CAS Number
2234-13-1
Beilstein Number
1653604
MDL Number
MFCD00145026
PubChem SID
162074420
PubChem CID
16692
Molecule Details
Sigma Aldrich
36935
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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CAS Number
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Beilstein Number
•
MDL Number
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PubChem SID
•
PubChem CID
Properties
Safety Information
Storage Warning
Irritant
Source
Safety Statements
60
-
61
-
62
Source
MSDS Link
Download link
Source
RID/ADR
UN 1145 3/PG 2
Source
Hazard Class
3
Source
European Hazard Symbols
Flammable (F)
Source
Nature polluting (N)
Harmful (Xn)
Storage Temperature
2-8°C
Source
UN Number
1145
Source
German water hazard class
3
Source
Packing Group
2
Source
Risk Statements
11
-
38
-
50/53
-
65
-
67
Source
Physical Property
Flash Point
-18 °C
Source
0 °F
Source
Product Information
Concentration
10 ng/μL in cyclohexane
Source
Grade
PESTANAL®, analytical standard
Source
Purity
97%
Source
Source
Source