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Molecule
ID:91057
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₂₀I₂
Molecular Mass
394.07474
Exact Mass
393.96544664
Charge
0
InChI
InChI=1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
InChIKey
CKJCTZAIDVFHCX-UHFFFAOYSA-N
Canonic Smiles
ICCCCCCCCCCI
Isomeric Smiles
ICCCCCCCCCCI
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.976785
LogD (pH = 7.4)
5.976785
Log P
5.976785
Molar Refractivity
74.236
Polarizability
29.22371
Polar Surface Area
0.0
Rotatable Bonds
9
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
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RDKit
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JChem
Data Source
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Academic Data
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Commercial Catalog
Names and Identifiers
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Synonyms
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IUPAC Traditional name
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IUPAC name
Registration numbers
Properties
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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
•
PubChem BioAssay
Data Source
Academic Data
PubChem
85378
Commercial Catalog
Sigma Aldrich
250287
Alfa Aesar
A10803
Bide Pharmatech
BD52224
Apollo Scientific
OR6497
Names and Identifiers
Synonyms
Decamethylene diiodide
1,10-Diiododecane 98%
1,10-Diiododecane
1,10-Diiododecane
双碘癸烷
1,10-二碘癸烷
IUPAC Traditional name
1,10-diiododecane
IUPAC name
1,10-diiododecane
Registration numbers
MDL Number
MFCD00001086
CAS Number
16355-92-3
EC Number
240-415-6
PubChem SID
24855048
162077761
Beilstein Number
1738614
PubChem CID
85378
Molecule Details
Sigma Aldrich
250287
Packaging
25 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
EC Number
•
PubChem SID
•
Beilstein Number
•
PubChem CID
Properties
Safety Information
Storage Warning
Harmful/Irritant/Light Sensitive/Keep Cold
Source
Light Sensitive
Source
GHS Signal Word
Warning
Source
Safety Statements
26
-
37/39
Source
26
-
37
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
MSDS Link
Download link
Source
Risk Statements
36/37/38
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
European Hazard Symbols
Irritant (Xi)
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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
TSCA Listed
是
Source
Physical Property
Boiling Point
197-200°C/12mm
Source
197-200 °C/12 mmHg(lit.)
Source
197-200°C/12mm
Source
Flash Point
113°C
Source
235.4 °F
Source
113 °C
Source
>110°C(230°F)
Source
2.350
Source
33-35°C
Source
33-35 °C(lit.)
Source
28-32°C
Source
Product Information
Purity
95%
Source
95+%
Source
97%
Source
Linear Formula
I(CH2)10I
Source
Density
Melting Point