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Molecule
ID:9552
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃F₇I
Molecular Mass
295.9253924
Exact Mass
295.89329554
Charge
0
InChI
InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11
InChIKey
XTGYEAXBNRVNQU-UHFFFAOYSA-N
Canonic Smiles
FC(C(I)(F)F)(C(F)(F)F)F
Isomeric Smiles
C(C(F)(F)F)(C(I)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0681
LogD (pH = 7.4)
3.0681
Log P
3.0681
Molar Refractivity
30.5119
Polarizability
12.05328
Polar Surface Area
0.0
Rotatable Bonds
2
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
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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
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
•
Product Information
•
Physical Property
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Apollo Scientific
•
MP Biomedicals
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC4510
MP Biomedicals
05209467
Matrix Scientific
005897
Sigma Aldrich
P10402
Enamine
EN300-117611
Alfa Aesar
A14784
Academic Data
PubChem
33977
Names and Identifiers
Synonyms
Heptafluoro-1-iodopropane
1-Iodoheptafluoropropane 95%
Heptafluoropropyl iodide
HEPTAFLUOROPROPYL IODIDE
1-Iodoperfluoropropane
七氟-1-碘丙烷
Perfluoropropyl iodide
1-碘全氟丙烷
全氟碘代丙烷
全氟丙基碘
Heptafluoro-1-iodopropane
1,1,1,2,2,3,3-heptafluoro-3-iodopropane
Heptafluoro-n-propyl iodide
Heptafluoro-1-iodopropane
Perfluoropropyl iodide
七氟-1-碘丙烷
IUPAC name
1,1,1,2,2,3,3-heptafluoro-3-iodopropane
IUPAC Traditional name
1,1,1,2,2,3,3-heptafluoro-3-iodopropane
Registration numbers
MDL Number
MFCD00001061
CAS Number
754-34-7
PubChem SID
160972859
24898146
PubChem CID
33977
Beilstein Number
1758822
EC Number
212-045-5
Molecule Details
Apollo Scientific
PC4510
Stabilised with copper
MP Biomedicals
05209467
MP Biomedicals Rare Chemical collection
Sigma Aldrich
P10402
Packaging
5, 25 g in ampule
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
PubChem SID
•
PubChem CID
•
Beilstein Number
•
EC Number
Properties
Product Information
Purity
98%
Source
95%
Source
97%, stab. with copper
Source
Certificate of Analysis
Download link
Source
Linear Formula
CF3CF2CF2I
Source
Contains
copper as stabilizer
Source
Physical Property
Density
2.100
Source
2.05 g/mL at 25 °C(lit.)
Source
2.056
Source
Refractive Index
1.3272
Source
n20/D 1.328(lit.)
Source
1.3290
Source
Boiling Point
40-42°C
Source
41 °C(lit.)
Source
40-41°C
Source
7.08 psi ( 20 °C)
Source
3.175
Source
-95 - -93°C
Source
-95°C
Source
Safety Information
TSCA Listed
true
Source
是
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
IRRITANT, LIGHT SENSITIVE, TOXIC
Source
Light Sensitive
Source
TZ3930000
Source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Source
3
Source
2-8°C
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
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
36/37/38
Source
26
-
37
Source
Irritant (Xi)
H315
-
H319
-
H335
Source
Source
Source
Vapor Pressure
Hydrophobicity(logP)
Melting Point
Storage Warning
RTECS
Personal Protective Equipment
German water hazard class
Storage Temperature
GHS Pictograms
GHS Precautionary statements
Risk Statements
Safety Statements
European Hazard Symbols
GHS Hazard statements