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Molecule
ID:89057
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₆I₂
Molecular Mass
295.88868
Exact Mass
295.85589619
Charge
0
InChI
InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
InChIKey
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
Canonic Smiles
ICCCI
Isomeric Smiles
ICCCI
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7920103
LogD (pH = 7.4)
2.7920103
Log P
2.7920103
Molar Refractivity
41.9854
Polarizability
16.861423
Polar Surface Area
0.0
Rotatable Bonds
2
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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General Information
Calculated Properties
•
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
•
IUPAC 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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Apollo Scientific
•
Sigma Aldrich
References
•
PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
12314
Commercial Catalog
Apollo Scientific
OR4510
Sigma Aldrich
238414
38090
Alfa Aesar
A10616
Names and Identifiers
Synonyms
1,3-Diiodopropane
Trimethylene diiodide
三亚甲基二碘化物
1,3-二碘丙烷
1,3-Diiodopropane
IUPAC Traditional name
propane, 1,3-diiodo-
IUPAC name
1,3-diiodopropane
Registration numbers
Beilstein Number
1731117
EC Number
210-993-4
CAS Number
627-31-6
MDL Number
MFCD00001097
PubChem SID
24863774
162075943
24854302
PubChem CID
12314
Molecule Details
Apollo Scientific
OR4510
Stabilised with copper wire
Sigma Aldrich
238414
Packaging
25, 100 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
Beilstein Number
•
EC Number
•
CAS Number
•
MDL Number
•
PubChem SID
•
PubChem CID
Properties
Physical Property
Boiling Point
111-113°C/13mm
Source
111-113 °C/31 mmHg(lit.)
Source
224°C
Source
Refractive Index
1.6420
Source
n20/D 1.642(lit.)
Source
n20/D 1.642
Source
1.6415
Source
Flash Point
>110°C
Source
113 °C
Source
235.4 °F
Source
>110°C(230°F)
Source
Density
2.576
Source
2.576 g/mL at 25 °C(lit.)
Source
2.565
Source
Melting Point
-20°C
Source
Safety Information
Storage Warning
Irritant/Light Sensitive/Keep Cold
Source
Light Sensitive
Source
European Hazard Symbols
Irritant (Xi)
Source
TY1080000
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
Download link
Source
Download link
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
3
Source
Warning
Source
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
26
-
36
Source
26
-
37
Source
H315
-
H319
-
H335
Source
36/37/38
Source
是
Source
Product Information
Contains
copper as stabilizer
Source
copper turnings as stabilizer
Source
Linear Formula
I(CH2)3I
Source
Purity
99%
Source
≥97.0% (GC)
Source
98+%, stab. with copper
Source
Grade
purum
Source
Source
RTECS
GHS Pictograms
MSDS Link
Personal Protective Equipment
German water hazard class
GHS Signal Word
GHS Precautionary statements
Safety Statements
GHS Hazard statements
Risk Statements
TSCA Listed