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Molecule
ID:9610
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂F₅I
Molecular Mass
245.917886
Exact Mass
245.8964891
Charge
0
InChI
InChI=1S/C2F5I/c3-1(4,5)2(6,7)8
InChIKey
UXPOJVLZTPGWFX-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(I)F
Isomeric Smiles
C(C(F)(F)I)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2336
LogD (pH = 7.4)
2.2336
Log P
2.2336
Molar Refractivity
25.8439
Polarizability
10.145453
Polar Surface Area
0.0
Rotatable Bonds
1
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
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Apollo Scientific
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC5600
Matrix Scientific
005980
Sigma Aldrich
331015
77265
Academic Data
PubChem
9636
Names and Identifiers
IUPAC Traditional name
ethane, pentafluoroiodo-
pentafluoroethyl iodide
Synonyms
Pentafluoroethyl iodide
2-Iodo-1,1,1,2,2-pentafluoroethane
Perfluoroiodoethane
Perfluoroethyl iodide 98%
Perfluoroethyl iodide
五氟一碘乙烷
五氟碘乙烷
全氟乙基碘
Iodopentafluoroethane
Pentafluoroiodoethane
IUPAC name
1,1,1,2,2-pentafluoro-2-iodoethane
Registration numbers
CAS Number
354-64-3
MDL Number
MFCD00039400
Beilstein Number
1740331
EC Number
206-566-7
PubChem SID
24859927
160972917
PubChem CID
9636
Molecule Details
Apollo Scientific
PC5600
Reagent for introduction of pentafluoroethyl groups intoorganic molecules: J.O.C., 1987,52, 2481.. Cylinder - 1/4" NPT connection
Sigma Aldrich
331015
Packaging
25, 300 g in Sure-Pac™
Recommended products
Stainless steel hose adapter Z146838 or stainless steel body mini gas regulator Z513547 is recommended.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
Beilstein Number
•
EC Number
•
PubChem SID
•
PubChem CID
Properties
Physical Property
Density
2.085
Source
2.07
Source
2.085 g/mL at 25 °C(lit.)
Source
Refractive Index
1.339
Source
n20/D 1.339(lit.)
Source
Boiling Point
12-13°C
Source
12-13 °C(lit.)
Source
738.9 mmHg ( 10 °C)
Source
Safety Information
Download link
Source
Download link
Source
Download link
Source
IRRITANT, GAS
Source
Irritant/Light Sensitive/Keep Cold
Source
Product Information
97%
Source
≥97.0% (GC)
Source
CF3CF2I
Source
purum
Source
TSCA Listed
false
Source
GHS Precautionary statements
P261
-
P305+P351+P338
-
P410+P403
Source
UN Number
1956
Source
GHS Signal Word
Warning
Source
Safety Statements
7
-
26
-
37/39
-
38
Source
German water hazard class
3
Source
RTECS
KI6397500
Source
Risk Statements
36/37/38
-
44
Source
GHS Hazard statements
H280
-
H315
-
H319
-
H335
Source
RID/ADR
UN 1956 2.2
Source
Hazard Class
2.2
Source
GHS Pictograms
Gases under pressure
Compressed gases
Liquefied gases
Refrigerated Liquefied gases
Dissolved gases
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
Supplemental Hazard Statements
Risk of explosion if heated under confinement.
Source
European Hazard Symbols
Irritant (Xi)
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
Source
Vapor Pressure
MSDS Link
Storage Warning
Purity
Linear Formula
Grade
Source