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Molecule
ID:86244
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₁₀I₂
Molecular Mass
323.94184
Exact Mass
323.88719632
Charge
0
InChI
InChI=1S/C5H10I2/c6-4-2-1-3-5-7/h1-5H2
InChIKey
IAEOYUUPFYJXHN-UHFFFAOYSA-N
Canonic Smiles
ICCCCCI
Isomeric Smiles
ICCCCCI
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7539418
LogD (pH = 7.4)
3.7539418
Log P
3.7539418
Molar Refractivity
51.231
Polarizability
20.349098
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Product Information
•
Physical Property
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
12354
Commercial Catalog
Sigma Aldrich
252131
Apollo Scientific
OR2937
Alfa Aesar
A17298
Bide Pharmatech
BD54910
Names and Identifiers
IUPAC Traditional name
pentane, 1,5-diiodo-
Synonyms
1,5-Diiodopentane
1,5-二碘戊烷
1,5-Diiodopentane
Pentamethylene diiodide
IUPAC name
1,5-diiodopentane
Registration numbers
CAS Number
628-77-3
MDL Number
MFCD00001101
EC Number
211-054-1
PubChem SID
24855185
162073360
PubChem CID
12354
Beilstein Number
1697281
Molecule Details
Sigma Aldrich
252131
Packaging
25, 100 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
Product Information
Linear Formula
I(CH2)5I
Source
Purity
97%
Source
95+%
Source
97%, stab. with copper
Source
Contains
copper as stabilizer
Source
Physical Property
Boiling Point
101-102 °C/3 mmHg(lit.)
Source
128-130°C/10mm
Source
n20/D 1.6002(lit.)
Source
1.6012
Source
235.4 °F
Source
113 °C
Source
>110°C(230°F)
Source
2.177 g/mL at 25 °C(lit.)
Source
2.176
Source
Safety Information
Irritant (Xi)
Source
German water hazard class
3
Source
MSDS Link
Download link
Source
RTECS
SA0425000
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
Risk Statements
36/37/38
Source
Safety Statements
26
-
37/39
Source
26
-
37
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Signal Word
Warning
Source
Storage Warning
Light Sensitive
Source
TSCA Listed
是
Source
Refractive Index
Flash Point
Density
European Hazard Symbols